In 1985, Kroto, SmaUey and their co-workers discovered a series of new forms of elementary carbons in experiments: many carbon atoms gather together to form quite stable clusters in gas-phase, among which C<sub>...In 1985, Kroto, SmaUey and their co-workers discovered a series of new forms of elementary carbons in experiments: many carbon atoms gather together to form quite stable clusters in gas-phase, among which C<sub>60</sub> is of the greatest abundance. Since then, many experimental and theoretical scientists have paid more attention to C<sub>60</sub>. They found展开更多
The frontier orbitals HOMO and LUMO of the fullerene C_(60) has been given in a system of 60 motion-coordinates, of which each origin is at each C atom of fullerene C_(60) and each z-axis is in the direction perpendic...The frontier orbitals HOMO and LUMO of the fullerene C_(60) has been given in a system of 60 motion-coordinates, of which each origin is at each C atom of fullerene C_(60) and each z-axis is in the direction perpendicular to C_(60)'S spherical surface. In this motion-coordinate system the HOMO and LUMO of fullerene C_(60) obviously display characteristics of spherical n-molecular orbitals π_n. The Fenske-Hall quantum-chemical method is used in calculation for the electronic structure of the fullerene C_(60).展开更多
The organometallic chemistry of fullerenes has received increasingly considerable attention in recent years. Fagan et al. reported, the first organometallic complex of fuilerene （Ph<sub>3</sub>P）<sub&...The organometallic chemistry of fullerenes has received increasingly considerable attention in recent years. Fagan et al. reported, the first organometallic complex of fuilerene （Ph<sub>3</sub>P）<sub>2</sub>PtC<sub>6</sub>0（THF） by reaction of C<sub>6</sub>0 with （Ph<sub>3</sub>P）<sub>2</sub>Pt（CH<sub>2</sub>=CH<sub>2</sub>） and determined its crystal structure. Considering the important use of organopalladium reagent in organic synthesis and catalysis, we investigate the potential applicability展开更多
For the superconductors(Rb_xK_(1-x))_3C_(60)(x=0.1),according to BCS theory and assuming that the virtual phonon acting on electron-pair is corresponding to the intrasolecular vibration in the bnckminnterfullerene C_(...For the superconductors(Rb_xK_(1-x))_3C_(60)(x=0.1),according to BCS theory and assuming that the virtual phonon acting on electron-pair is corresponding to the intrasolecular vibration in the bnckminnterfullerene C_(60),a linear relationship of the superconducting transition temperature T_c with x has been derived,which is in agreement with the experimentals,展开更多
Reactions of C60 with Si(CH_3)_nCl_(4-n) (n=2,3)in the ion source of the mass spectrometer have been studied.The corresponding adduct ions[C60Si(CH_3)_mCl3_(-m)]^+(m=1,2,3),[C60SiCl]^+ and[C60CH_3]^+ were observed and...Reactions of C60 with Si(CH_3)_nCl_(4-n) (n=2,3)in the ion source of the mass spectrometer have been studied.The corresponding adduct ions[C60Si(CH_3)_mCl3_(-m)]^+(m=1,2,3),[C60SiCl]^+ and[C60CH_3]^+ were observed and their possible structures were discussed.The results indicated that C60 is very reactive to electrophiles in the gas phase.展开更多
The pure buckminsterfullerene sample was ablated by pulsed laser beam on a home-made apparatus. From the recorded time-of-flight mass spectra, it is found that,like the positive ions, the larger negative carbon cluste...The pure buckminsterfullerene sample was ablated by pulsed laser beam on a home-made apparatus. From the recorded time-of-flight mass spectra, it is found that,like the positive ions, the larger negative carbon cluster ions could also be formed from aggregation of buckminsterfullerene. The sizes of the cluster ions with highest signal intensities among each polymerized group of ions axe less than exact tfors of 60 and are related to the expermental conditions. The sizes of some cluster boons are odd numbers,so they must have non-fullerene structures.展开更多
In chemical ionization mass spectrometry (CIMS) gas phase C60+ or C60can react with fragment ions from three chloromethane and four multichloroethane molecular ions via ion-molecule reactions A dozen of gas-phase addu...In chemical ionization mass spectrometry (CIMS) gas phase C60+ or C60can react with fragment ions from three chloromethane and four multichloroethane molecular ions via ion-molecule reactions A dozen of gas-phase adduct ions of C60 are observed, and most of them contain chlorine atoms The results of the comparison and analysis show that the relative intensities of adduct ions are not directly proportional to the corresponding fragment ions in the MS of reagents,which implies that some fragment ions containing radicals are more reactive with C60+ or C60. This indicates that the alkene-like C60+ or C60 can act as a radical sponge in addition reactions.展开更多
基金Project supported by the National Natural Scienoe Foundation of China
文摘In 1985, Kroto, SmaUey and their co-workers discovered a series of new forms of elementary carbons in experiments: many carbon atoms gather together to form quite stable clusters in gas-phase, among which C<sub>60</sub> is of the greatest abundance. Since then, many experimental and theoretical scientists have paid more attention to C<sub>60</sub>. They found
文摘The frontier orbitals HOMO and LUMO of the fullerene C_(60) has been given in a system of 60 motion-coordinates, of which each origin is at each C atom of fullerene C_(60) and each z-axis is in the direction perpendicular to C_(60)'S spherical surface. In this motion-coordinate system the HOMO and LUMO of fullerene C_(60) obviously display characteristics of spherical n-molecular orbitals π_n. The Fenske-Hall quantum-chemical method is used in calculation for the electronic structure of the fullerene C_(60).
基金the Science Foundation of Shanghai Committee of Science and Technology, China
文摘The organometallic chemistry of fullerenes has received increasingly considerable attention in recent years. Fagan et al. reported, the first organometallic complex of fuilerene （Ph<sub>3</sub>P）<sub>2</sub>PtC<sub>6</sub>0（THF） by reaction of C<sub>6</sub>0 with （Ph<sub>3</sub>P）<sub>2</sub>Pt（CH<sub>2</sub>=CH<sub>2</sub>） and determined its crystal structure. Considering the important use of organopalladium reagent in organic synthesis and catalysis, we investigate the potential applicability
文摘For the superconductors(Rb_xK_(1-x))_3C_(60)(x=0.1),according to BCS theory and assuming that the virtual phonon acting on electron-pair is corresponding to the intrasolecular vibration in the bnckminnterfullerene C_(60),a linear relationship of the superconducting transition temperature T_c with x has been derived,which is in agreement with the experimentals,
文摘Reactions of C60 with Si(CH_3)_nCl_(4-n) (n=2,3)in the ion source of the mass spectrometer have been studied.The corresponding adduct ions[C60Si(CH_3)_mCl3_(-m)]^+(m=1,2,3),[C60SiCl]^+ and[C60CH_3]^+ were observed and their possible structures were discussed.The results indicated that C60 is very reactive to electrophiles in the gas phase.
文摘The pure buckminsterfullerene sample was ablated by pulsed laser beam on a home-made apparatus. From the recorded time-of-flight mass spectra, it is found that,like the positive ions, the larger negative carbon cluster ions could also be formed from aggregation of buckminsterfullerene. The sizes of the cluster ions with highest signal intensities among each polymerized group of ions axe less than exact tfors of 60 and are related to the expermental conditions. The sizes of some cluster boons are odd numbers,so they must have non-fullerene structures.
文摘In chemical ionization mass spectrometry (CIMS) gas phase C60+ or C60can react with fragment ions from three chloromethane and four multichloroethane molecular ions via ion-molecule reactions A dozen of gas-phase adduct ions of C60 are observed, and most of them contain chlorine atoms The results of the comparison and analysis show that the relative intensities of adduct ions are not directly proportional to the corresponding fragment ions in the MS of reagents,which implies that some fragment ions containing radicals are more reactive with C60+ or C60. This indicates that the alkene-like C60+ or C60 can act as a radical sponge in addition reactions.
