A series of quaternary ammonium ionic liquids(ILs)were synthesized and employed as catalysts for the production of poly(isosorbide carbonate)(PIC)from diphenyl carbonate and isosorbide via a melt polycondensation proc...A series of quaternary ammonium ionic liquids(ILs)were synthesized and employed as catalysts for the production of poly(isosorbide carbonate)(PIC)from diphenyl carbonate and isosorbide via a melt polycondensation process.The relationship between the anions of the ILs and the catalytic activities was investigated,and the readily‐prepared IL tetraethylammonium imidazolate(TEAI)was found to exhibit the highest catalytic activity.After optimizing the reaction conditions,a PIC with a weight‐average molecular weight(Mw)of25600g/mol was obtained,in conjunction with an isosorbide conversion of92%.As a means of modifying the molecular flexibility and thermal properties of the PIC,poly(aliphatic diol‐co‐isosorbide carbonate)s(PAIC)s were successfully synthesized,again using TEAI,and polymers with Mw values ranging from29000to112000g/mol were obtained.13C NMR analyses determined that the PAIC specimens had random microstructures,while differential scanning calorimetry demonstrated that each of the PAICs were amorphous and had glass transition temperatures ranging from50to115°C.Thermogravimetric analyses found Td‐5%values ranging from316to332°C for these polymers.Based on these data,it is evident that the incorporation of linear or cyclohexane‐based diol repeating units changed the thermal properties of the PIC.展开更多
Background,aim,and scope Soil microbes are important drivers of nutrient transformation and energy f low.Reclaiming forest land for agricultural use may have profound effects on soil properties and microbial communiti...Background,aim,and scope Soil microbes are important drivers of nutrient transformation and energy f low.Reclaiming forest land for agricultural use may have profound effects on soil properties and microbial communities.However,the response of soil microbial communities to soil reclamation in the dryland agroecosystem is less understood.Therefore,it is necessary to investigate the changes of soil microbial communities driven by land use conversion to promote nutrient cycling in reclaimed farmland.Materials and methods Based on the metagenomic technique,we evaluated the microbial composition and function of the newly created farmland(NF)after reclamation with two types of traditional farmland(slope farmland(SF),checkdam farmland(CF))on the Loess Plateau,and explored the response of nutrient cycling function to dominant genera and soil properties.Results The results showed that Proteobacteria,Actinobacteria,and Acidobacteria were prevalent in the three types of farmlands.Compared with SF and CF,NF increased the relative abundance of Actinobacteria and Nocardioides,as well as genes related to amino acid metabolism and carbohydrate metabolism.The relative abundance of functional genes related to carbon and nitrogen cycling in the NF was higher than that in the traditional farmland(SF and CF).The relative abundance of nutrient cycling functional genes was positively correlated with dominant genera in the three types of farmlands.Except for pH,soil physicochemical factors were negatively correlated with genes related to amino acid metabolism and carbon cycle.Discussion Previous studies have shown that the nutrient conditions of the soil may intensify the competition between the eutrophic and oligotrophic microbial populations.After long-term cultivation and fertilization,the soil properties of traditional farmland were significantly different from those of NF,leading to the differentiation of dominant microbial groups.Microbes usually have functional redundancy to cope with changing environments.Soil microbes in tradit展开更多
Crayfish shell is an abundant natural waste and is also a potential biosorbent for pollutants,especially,heavy metals.In this study,the safety of the use of crayfish shell as a biosorbent was first assessed by release...Crayfish shell is an abundant natural waste and is also a potential biosorbent for pollutants,especially,heavy metals.In this study,the safety of the use of crayfish shell as a biosorbent was first assessed by release experiments involving primary heavy metal ions,such as Cu^(2+),Zn^(2+),and Cr^(3+),in aqueous solution under different environmental conditions.The release concentrations of heavy metals were dependent on pH,ionic strength,and humic acid;and the maximum release concentrations of heavy metals were still lower than the national standard.Specifically,Cu^(2+) and Pb^(2+) removal by crayfish shell in synthetic wastewater was investigated.The removal process involved biosorption,precipitation,and complexation,and the results indicate that crayfish shell is an excellent biosorbent for Cu^(2+) and Pb^(2+) removal.The precipitation step is particularly dependent on Ca species,pH,and temperature.The maximum removal capacities of Pb^(2+) and Cu^(2+) were 676.20 and 119.98 mg/g,respectively.The related precipitates and the generated complex products include Cu_(2)CO_(3)(OH)_(2),Ca_(2)CuO_(3),CuCO_(3),Pb_(2)CO_(3)(OH)_(2),CaPb_(3)O_(4),and PbCO_(3).展开更多
The construction of a comprehensive observation platform for natural-resource elements would provide data support for studies of dynamic changes in various natural resources,and could serve the needs of natural-resour...The construction of a comprehensive observation platform for natural-resource elements would provide data support for studies of dynamic changes in various natural resources,and could serve the needs of natural-resource management and the construction of ecological civilization during a period of global change.As the second-largest inland river basin in NW China,the Heihe River Basin(HRB)lies in the central part of the Silk Road Economic Belt,consequently,pilot studies of resource management in the basin are urgently needed.This paper describes the construction of a comprehensive natural-resource elements observation network in the HRB to meet requirements for natural-resource management,based on natural-resource and Earth-system science.Based on current observations and research,thirteen observation stations were established in different river basins through integration with existing stations,reconstruction and upgrading,and new construction.The main types of land-surface resources in the HRB(grassland,forests,rivers,lakes,deserts,wetlands,and farmland)were included in the observation network constructed for the monitoring of natural-resource elements.Long-term,continuous,and stable observation can yield key data concerning coupling processes,trends of change,and rates of change in natural resources.This is of great significance in improving cognitive ability,scientific management,and strategic decision-making regarding natural resources in the HRB,and can provide a reference paradigm for the observation of and research into natural resources in other basins.展开更多
The fi rst arrival waveform inversion(FAWI)has a strong nonlinearity due to the objective function using L2 parametrization.When the initial velocity is not accurate,the inversion can easily fall into local minima.In ...The fi rst arrival waveform inversion(FAWI)has a strong nonlinearity due to the objective function using L2 parametrization.When the initial velocity is not accurate,the inversion can easily fall into local minima.In the full waveform inversion method,adding a cross-correlation function to the objective function can eff ectively reduce the nonlinearity of the inversion process.In this paper,the nonlinearity of this process is reduced by introducing the correlation objective function into the FAWI and by deriving the corresponding gradient formula.We then combine the first-arrival wave travel-time tomography with the FAWI to form a set of inversion processes.This paper uses the limited memory Broyden-Fletcher-Goldfarb-Shanno(L-BFGS)algorithm to improve the computational effi ciency of inversion and solve the problem of the low effi ciency of the FAWI method.The overthrust model and fi eld data test show that the method used in this paper can eff ectively reduce the nonlinearity of inversion and improve the inversion calculation effi ciency at the same time.展开更多
Most sedimentary formations with fine layers can be characterized as transversely isotropic media.The evaluation of shear-wave anisotropy is critical in logging-while-drilling(LWD)applications.We developed a joint met...Most sedimentary formations with fine layers can be characterized as transversely isotropic media.The evaluation of shear-wave anisotropy is critical in logging-while-drilling(LWD)applications.We developed a joint method to simultaneously invert formation shear-wave anisotropy and vertical shear velocity using LWD monopole and dipole dispersion data.Theoretical analysis demonstrates that formation shear-wave anisotropy significantly aff ects the dispersion characteristics of Stoneley and formation flexural waves.The inversion objective function was constructed based on the change in dispersion characteristics and was weighted by the spectra of multipole waves.Numerical results using synthetic examples demonstrate that the joint inversion method can not only alleviate the non-uniqueness problem but also help improve the accuracy of the inversion results.The comparison of diff erent signal-to-noise ratio inversion results proved that the weighted inversion method is more accurate and stable.展开更多
Infrared photodissociation spectroscopy of mass-selected[MO(CO2)n]^+(M=Sc,Y,La)complexes indicates that the conversion from the solvated structure into carbonate one can be achieved by the ScO^+ cation at n=5 and by t...Infrared photodissociation spectroscopy of mass-selected[MO(CO2)n]^+(M=Sc,Y,La)complexes indicates that the conversion from the solvated structure into carbonate one can be achieved by the ScO^+ cation at n=5 and by the YO^+ cation at n=4,while only the solvated structures are observed for the LaO^+ cation.These findings suggest that both the ScO^+ and YO^+cations are able to fix CO2 into carbonate.Quantum chemical calculations are performed on[MO(CO2)n]^+ to identify the structures of the low-lying isomers and to assign the observed spectral features.Theoretical analyses show that the[YO(CO2)n]^+ complex has the smallest barrier for the conversion from the solvated structure into carbonate one,while[LaO(CO2)n]^+ exhibits the largest conversion barrier among the three metal oxide cations.The present system affords a model in clarifying the effect of different metals in catalytic CO2 transformation at the molecular level.展开更多
Spectroscopic characterization of clusters is crucial to understanding the structures and reaction mechanisms at the microscopic level,but it has been proven to be a grand challenge for neutral clusters because the ab...Spectroscopic characterization of clusters is crucial to understanding the structures and reaction mechanisms at the microscopic level,but it has been proven to be a grand challenge for neutral clusters because the absence of a charge makes it di伍cult for the size selection and detection.Infrared(IR)spectroscopy based on threshold photoionization using a tunable vacuum ultraviolet free electron laser(VUV-FEL)has recently been developed in the lab.The IR-VUV depletion and IR+VUV enhancement spectroscopic techniques open new avenues for size-selected IR spectroscopies of a large variety of neutral clusters without confinement(i.e.,an ultraviolet chromophore,a messenger tag,or a host matrix).The spectroscopic principles have been demonstrated by investigations of some neutral water clusters and some metal carbonyls.Here,the spectroscopic principles and their applications for neutral clusters are reviewed.展开更多
The full-waveform inversion method is a high-precision inversion method based on the minimization of the misfit between the synthetic seismograms and the observed data.However,this method suffers from cycle skipping i...The full-waveform inversion method is a high-precision inversion method based on the minimization of the misfit between the synthetic seismograms and the observed data.However,this method suffers from cycle skipping in the time domain or phase wrapping in the frequency because of the inaccurate initial velocity or the lack of low-frequency information.furthermore,the object scale of inversion is affected by the observation system and wavelet bandwidth,the inversion for large-scale structures is a strongly nonlinear problem that is considerably difficult to solve.In this study,we modify the unwrapping algorithm to obtain accurate unwrapped instantaneous phase,then using this phase conducts the inversion for reducing the strong nonlinearity.The normal instantaneous phases are measured as modulo 2π,leading the loss of true phase information.The path integral algorithm can be used to unwrap the instantaneous phase of the seismograms having time series and onedimensional(1 D)signal characteristics.However,the unwrapped phase is easily affected by the numerical simulation and phase calculations,resulting in the low resolution of inversion parameters.To increase the noise resistance and ensure the inversion accuracy,we present an improved unwrapping method by adding an envelope into the path integral unwrapping algorithm for restricting the phase mutation points,getting accurate instantaneous phase.The objective function constructed by unwrapping instantaneous phase is less affected by the local minimum,thereby making it suitable for full-waveform inversion.Further,the corresponding instantaneous phase inversion formulas are provided.Using the improved algorithm,we can invert the low-wavenumber components of the underneath structure and ensure the accuracy of the inverted velocity.Finally,the numerical tests of the 2 D Marmousi model and 3 D SEG/EAGE salt model prove the accuracy of the proposed algorithm and the ability to restore largescale low-wavenumber structures,respectively.展开更多
The mass-selected infrared photodissociation (IRPD) spectroscopy was utilized to investigate the interactions of cationic cobalt with carbon dioxide molecules. Quantum chemical calculations were performed on the [Co(C...The mass-selected infrared photodissociation (IRPD) spectroscopy was utilized to investigate the interactions of cationic cobalt with carbon dioxide molecules. Quantum chemical calculations were performed on the [Co(CO2)n]^+ clusters to identify the structures of the low-lying isomers and to assign the observed spectral features. All the [Co(CO2)n]^+(n=2-6) clusters studied here show resonances near the CO2 asymmetric stretch of free CO2 molecule. Experimental and calculated results indicate that the CO2 molecules are weakly bound to the Co+ cations in an end-on con guration via a charge-quadrupole electrostatic interaction. The present IRPD spectra of [Co(CO2)n]^+ clusters have been compared to those of Ar-tagged species ([Co(CO2)n]^+-Ar), which would provide insights into the tagging effect of rare gas on the weakly-bounded clusters.展开更多
基金supported by the National Key Projects for Fundamental Research and Development of China(2016YFB0600903)the National Natural Science Foundation of China(91434107,21506226,21476245)the Key Research Program of Frontier Sciences of Chinese Academy of Sciences(QYZDY-SSW-JSC011)~~
文摘A series of quaternary ammonium ionic liquids(ILs)were synthesized and employed as catalysts for the production of poly(isosorbide carbonate)(PIC)from diphenyl carbonate and isosorbide via a melt polycondensation process.The relationship between the anions of the ILs and the catalytic activities was investigated,and the readily‐prepared IL tetraethylammonium imidazolate(TEAI)was found to exhibit the highest catalytic activity.After optimizing the reaction conditions,a PIC with a weight‐average molecular weight(Mw)of25600g/mol was obtained,in conjunction with an isosorbide conversion of92%.As a means of modifying the molecular flexibility and thermal properties of the PIC,poly(aliphatic diol‐co‐isosorbide carbonate)s(PAIC)s were successfully synthesized,again using TEAI,and polymers with Mw values ranging from29000to112000g/mol were obtained.13C NMR analyses determined that the PAIC specimens had random microstructures,while differential scanning calorimetry demonstrated that each of the PAICs were amorphous and had glass transition temperatures ranging from50to115°C.Thermogravimetric analyses found Td‐5%values ranging from316to332°C for these polymers.Based on these data,it is evident that the incorporation of linear or cyclohexane‐based diol repeating units changed the thermal properties of the PIC.
文摘Background,aim,and scope Soil microbes are important drivers of nutrient transformation and energy f low.Reclaiming forest land for agricultural use may have profound effects on soil properties and microbial communities.However,the response of soil microbial communities to soil reclamation in the dryland agroecosystem is less understood.Therefore,it is necessary to investigate the changes of soil microbial communities driven by land use conversion to promote nutrient cycling in reclaimed farmland.Materials and methods Based on the metagenomic technique,we evaluated the microbial composition and function of the newly created farmland(NF)after reclamation with two types of traditional farmland(slope farmland(SF),checkdam farmland(CF))on the Loess Plateau,and explored the response of nutrient cycling function to dominant genera and soil properties.Results The results showed that Proteobacteria,Actinobacteria,and Acidobacteria were prevalent in the three types of farmlands.Compared with SF and CF,NF increased the relative abundance of Actinobacteria and Nocardioides,as well as genes related to amino acid metabolism and carbohydrate metabolism.The relative abundance of functional genes related to carbon and nitrogen cycling in the NF was higher than that in the traditional farmland(SF and CF).The relative abundance of nutrient cycling functional genes was positively correlated with dominant genera in the three types of farmlands.Except for pH,soil physicochemical factors were negatively correlated with genes related to amino acid metabolism and carbon cycle.Discussion Previous studies have shown that the nutrient conditions of the soil may intensify the competition between the eutrophic and oligotrophic microbial populations.After long-term cultivation and fertilization,the soil properties of traditional farmland were significantly different from those of NF,leading to the differentiation of dominant microbial groups.Microbes usually have functional redundancy to cope with changing environments.Soil microbes in tradit
基金supported by the Key Special Program on the S&T for the Pollution Control and Treatment of Water Bodies(No.2017ZX07603-003)。
文摘Crayfish shell is an abundant natural waste and is also a potential biosorbent for pollutants,especially,heavy metals.In this study,the safety of the use of crayfish shell as a biosorbent was first assessed by release experiments involving primary heavy metal ions,such as Cu^(2+),Zn^(2+),and Cr^(3+),in aqueous solution under different environmental conditions.The release concentrations of heavy metals were dependent on pH,ionic strength,and humic acid;and the maximum release concentrations of heavy metals were still lower than the national standard.Specifically,Cu^(2+) and Pb^(2+) removal by crayfish shell in synthetic wastewater was investigated.The removal process involved biosorption,precipitation,and complexation,and the results indicate that crayfish shell is an excellent biosorbent for Cu^(2+) and Pb^(2+) removal.The precipitation step is particularly dependent on Ca species,pH,and temperature.The maximum removal capacities of Pb^(2+) and Cu^(2+) were 676.20 and 119.98 mg/g,respectively.The related precipitates and the generated complex products include Cu_(2)CO_(3)(OH)_(2),Ca_(2)CuO_(3),CuCO_(3),Pb_(2)CO_(3)(OH)_(2),CaPb_(3)O_(4),and PbCO_(3).
基金The National Key Research and Development Program of China(2018YFA0606500)The Special Project for Comprehensive Monitoring of The Natural Resources(Xining Center)(DD20211627)+1 种基金The Comprehensive Observation of Natural-resource Elements in Heihe River Basin(DD20208065)The Investigation of Groundwater Flow Field in Key Areas(Xi’an Center)(DD20211563)。
文摘The construction of a comprehensive observation platform for natural-resource elements would provide data support for studies of dynamic changes in various natural resources,and could serve the needs of natural-resource management and the construction of ecological civilization during a period of global change.As the second-largest inland river basin in NW China,the Heihe River Basin(HRB)lies in the central part of the Silk Road Economic Belt,consequently,pilot studies of resource management in the basin are urgently needed.This paper describes the construction of a comprehensive natural-resource elements observation network in the HRB to meet requirements for natural-resource management,based on natural-resource and Earth-system science.Based on current observations and research,thirteen observation stations were established in different river basins through integration with existing stations,reconstruction and upgrading,and new construction.The main types of land-surface resources in the HRB(grassland,forests,rivers,lakes,deserts,wetlands,and farmland)were included in the observation network constructed for the monitoring of natural-resource elements.Long-term,continuous,and stable observation can yield key data concerning coupling processes,trends of change,and rates of change in natural resources.This is of great significance in improving cognitive ability,scientific management,and strategic decision-making regarding natural resources in the HRB,and can provide a reference paradigm for the observation of and research into natural resources in other basins.
基金supported by the Major Scientific and Technological Project of PetroChina (ZD2019-183-003)Project of National Natural Science Foundation of China (42074133)+1 种基金the Fundamental Research Funds for the Central Universities (19CX02056A)Project of State Key Laboratory of Shale Oil and Gas Enrichment Mechanisms and Effective Development (33550000-21-FW0399-0009)
文摘The fi rst arrival waveform inversion(FAWI)has a strong nonlinearity due to the objective function using L2 parametrization.When the initial velocity is not accurate,the inversion can easily fall into local minima.In the full waveform inversion method,adding a cross-correlation function to the objective function can eff ectively reduce the nonlinearity of the inversion process.In this paper,the nonlinearity of this process is reduced by introducing the correlation objective function into the FAWI and by deriving the corresponding gradient formula.We then combine the first-arrival wave travel-time tomography with the FAWI to form a set of inversion processes.This paper uses the limited memory Broyden-Fletcher-Goldfarb-Shanno(L-BFGS)algorithm to improve the computational effi ciency of inversion and solve the problem of the low effi ciency of the FAWI method.The overthrust model and fi eld data test show that the method used in this paper can eff ectively reduce the nonlinearity of inversion and improve the inversion calculation effi ciency at the same time.
基金supported by the National Natural Science Foundation of China (Grant No.12174421)the Hubei Key Laboratory of Advanced Aerospace Propulsion Technology (Grant No.KFJJ2020-02).
文摘Most sedimentary formations with fine layers can be characterized as transversely isotropic media.The evaluation of shear-wave anisotropy is critical in logging-while-drilling(LWD)applications.We developed a joint method to simultaneously invert formation shear-wave anisotropy and vertical shear velocity using LWD monopole and dipole dispersion data.Theoretical analysis demonstrates that formation shear-wave anisotropy significantly aff ects the dispersion characteristics of Stoneley and formation flexural waves.The inversion objective function was constructed based on the change in dispersion characteristics and was weighted by the spectra of multipole waves.Numerical results using synthetic examples demonstrate that the joint inversion method can not only alleviate the non-uniqueness problem but also help improve the accuracy of the inversion results.The comparison of diff erent signal-to-noise ratio inversion results proved that the weighted inversion method is more accurate and stable.
基金supported by the National Natural Science Foundation of China (No.21327901,No.21673231,No.21673234,and No.21688102)the Strategic Priority Research Program of Chinese Academy of Sciences(No.XDB17000000)K. C. Wong Education Foundation.
文摘Infrared photodissociation spectroscopy of mass-selected[MO(CO2)n]^+(M=Sc,Y,La)complexes indicates that the conversion from the solvated structure into carbonate one can be achieved by the ScO^+ cation at n=5 and by the YO^+ cation at n=4,while only the solvated structures are observed for the LaO^+ cation.These findings suggest that both the ScO^+ and YO^+cations are able to fix CO2 into carbonate.Quantum chemical calculations are performed on[MO(CO2)n]^+ to identify the structures of the low-lying isomers and to assign the observed spectral features.Theoretical analyses show that the[YO(CO2)n]^+ complex has the smallest barrier for the conversion from the solvated structure into carbonate one,while[LaO(CO2)n]^+ exhibits the largest conversion barrier among the three metal oxide cations.The present system affords a model in clarifying the effect of different metals in catalytic CO2 transformation at the molecular level.
基金This work was supported by the National Natural Science Foundation of China(No.92061203 and No.21688102)the Strategic Priority Research Program of Chinese Academy of Sciences(XDB17000000)+3 种基金International Partnership Program of Chinese Academy of Sciences(121421KYSB20170012)Chinese Academy of Sciences(GJJSTD20190002)K.C.Wong Education Foundation(GJTD-2018-06)Dalian Institute of Chemical Physics(DICP DCLS201702).
文摘Spectroscopic characterization of clusters is crucial to understanding the structures and reaction mechanisms at the microscopic level,but it has been proven to be a grand challenge for neutral clusters because the absence of a charge makes it di伍cult for the size selection and detection.Infrared(IR)spectroscopy based on threshold photoionization using a tunable vacuum ultraviolet free electron laser(VUV-FEL)has recently been developed in the lab.The IR-VUV depletion and IR+VUV enhancement spectroscopic techniques open new avenues for size-selected IR spectroscopies of a large variety of neutral clusters without confinement(i.e.,an ultraviolet chromophore,a messenger tag,or a host matrix).The spectroscopic principles have been demonstrated by investigations of some neutral water clusters and some metal carbonyls.Here,the spectroscopic principles and their applications for neutral clusters are reviewed.
基金supported by the National Science and Technology major projects of China(No.2017ZX05032-003-002)Shandong Key Research and Development Plan Project(No.2018GHY115016)China University of Petroleum(East China)Independent Innovation Research Project(No.18CX06023A)。
文摘The full-waveform inversion method is a high-precision inversion method based on the minimization of the misfit between the synthetic seismograms and the observed data.However,this method suffers from cycle skipping in the time domain or phase wrapping in the frequency because of the inaccurate initial velocity or the lack of low-frequency information.furthermore,the object scale of inversion is affected by the observation system and wavelet bandwidth,the inversion for large-scale structures is a strongly nonlinear problem that is considerably difficult to solve.In this study,we modify the unwrapping algorithm to obtain accurate unwrapped instantaneous phase,then using this phase conducts the inversion for reducing the strong nonlinearity.The normal instantaneous phases are measured as modulo 2π,leading the loss of true phase information.The path integral algorithm can be used to unwrap the instantaneous phase of the seismograms having time series and onedimensional(1 D)signal characteristics.However,the unwrapped phase is easily affected by the numerical simulation and phase calculations,resulting in the low resolution of inversion parameters.To increase the noise resistance and ensure the inversion accuracy,we present an improved unwrapping method by adding an envelope into the path integral unwrapping algorithm for restricting the phase mutation points,getting accurate instantaneous phase.The objective function constructed by unwrapping instantaneous phase is less affected by the local minimum,thereby making it suitable for full-waveform inversion.Further,the corresponding instantaneous phase inversion formulas are provided.Using the improved algorithm,we can invert the low-wavenumber components of the underneath structure and ensure the accuracy of the inverted velocity.Finally,the numerical tests of the 2 D Marmousi model and 3 D SEG/EAGE salt model prove the accuracy of the proposed algorithm and the ability to restore largescale low-wavenumber structures,respectively.
基金supported by the National Natural Science Foundation of China(No.21327901,No.21503222,No.21673231,and No.21688102)the Strategic Priority Research Program of the Chinese Academy of Sciences(No.XDB17000000)China Postdoctoral Science Foundation(No.2018M641718 and No.2018M641719)
文摘The mass-selected infrared photodissociation (IRPD) spectroscopy was utilized to investigate the interactions of cationic cobalt with carbon dioxide molecules. Quantum chemical calculations were performed on the [Co(CO2)n]^+ clusters to identify the structures of the low-lying isomers and to assign the observed spectral features. All the [Co(CO2)n]^+(n=2-6) clusters studied here show resonances near the CO2 asymmetric stretch of free CO2 molecule. Experimental and calculated results indicate that the CO2 molecules are weakly bound to the Co+ cations in an end-on con guration via a charge-quadrupole electrostatic interaction. The present IRPD spectra of [Co(CO2)n]^+ clusters have been compared to those of Ar-tagged species ([Co(CO2)n]^+-Ar), which would provide insights into the tagging effect of rare gas on the weakly-bounded clusters.
