The stereodynamics of the C^NO reaction is investigated at O.06eV by means of the quasi-classical trajectory method on a recent ab initio 4^A＂ potential energy surface （PES）. The influences of rotation excitation ...The stereodynamics of the C^NO reaction is investigated at O.06eV by means of the quasi-classical trajectory method on a recent ab initio 4^A＂ potential energy surface （PES）. The influences of rotation excitation （j = 0 -3） on stereodynamics are discussed. The obtained stereodynamical information is compared with the previously reported results on the 2A′ and 2^A＂ PESs to give a full insight into the chemical stereodynamics of the title reaction.展开更多
基金Supported by the National Natural Science Foundation of China under Grant No 11204392the Scientific and Technological Research Program of Chongqing Municipal Education Commission under Grant Nos KJ1400920 and KJ130821
文摘The stereodynamics of the C^NO reaction is investigated at O.06eV by means of the quasi-classical trajectory method on a recent ab initio 4^A＂ potential energy surface （PES）. The influences of rotation excitation （j = 0 -3） on stereodynamics are discussed. The obtained stereodynamical information is compared with the previously reported results on the 2A′ and 2^A＂ PESs to give a full insight into the chemical stereodynamics of the title reaction.
文摘【目的】设施菜田土壤反硝化作用是N_2O排放和氮素损失的重要途径。本研究通过室内厌氧培养试验,在不同p H和初始C/NO_3~–条件下,比较设施菜田土壤反硝化氮素气体排放及产物比的变化特征。【方法】以设施菜田土壤为研究对象,通过添加一定量低浓度的酸碱溶液调节土壤p H分别为酸性、中性和碱性条件,调节后的实测p H分别为5.63、6.65和7.83;同时以谷氨酸钠作为有效性碳,除未添加有效性碳作为对照处理(CK)外,其他有效性碳与硝酸盐(C/NO_3~–)的比值分别调节为5∶1、15∶1和30∶1,三种p H条件下均设置4个C/NO_3~–水平,每个水平3次重复。利用自动连续在线培养系统(Robot系统),在厌氧条件下监测不同处理土壤产生的N_2O、NO、N_2和CO2浓度的动态变化,通过计算N_2O/(N_2O+NO+N_2)指数估算反硝化过程N_2O的产物比。【结果】增加土壤的p H能显著减少设施菜田土壤N_2O和NO的产生量,酸性(p H 5.63)土壤的N_2O、NO产生量峰值在不同初始C/NO_3~–比下均显著高于中性(p H 6.65)和碱性(p H 7.83)土壤(P<0.05)。中性和碱性土壤在高C/NO_3~–下有利于减少反硝化过程N_2O的产生,而酸性土壤条件下差异并不显著。中性土壤条件下增加有机碳含量会降低NO产生量,而在酸性和碱性土壤上有机碳的添加对NO产生量没有显著影响。土壤p H和初始C/NO_3~–比对土壤N_2O的产生有极显著的交互效应(P<0.001)。酸性和中性土壤上添加有机碳能够显著增加土壤N_2的产生速率(P<0.05),且与对照相比,不同p H的土壤添加有机碳后均显著促进反硝化过程中N_2O向N_2的转化。在不同初始C/NO_3~–下碱性土壤的CO2产生量显著高于酸性和中性土壤,同时与对照相比,添加有机碳显著增加了土壤的CO2产生量(P<0.05)。酸性土壤的N_2O产物比在不同初始C/NO_3~–下均极显著高于碱性土壤(P<0.01),且不同初始C/NO_3~–下的土壤N_2O产物比随p H�
