摘要
Independent atom model (IAM) is generaly used in gaseous electron diffraction (GED) experiment. This means that the effect of the charge redistribution in a molecule is neglected in general case in GED data analysis and the information of the effect could be taken from the residual intensity.In this work, various methods were suggested to calculate the elastic scattering factors for S, F atoms in SF6 molecule (modified IAM or MIAM) and the residual intensity of 40keV electrons scattered by the same molecule. Bonham-type parameter method was selected to acheive good agreement with experimental results and the charge redistribution was determined according to these parameters. Further comparison was made between different methods and their results.
Independent atom model (IAM) is generaly used in gaseous electron diffraction (GED) experiment. This means that the effect of the charge redistribution in a molecule is neglected in general case in GED data analysis and the information of the effect could be taken from the residual intensity.In this work, various methods were suggested to calculate the elastic scattering factors for S, F atoms in SF6 molecule (modified IAM or MIAM) and the residual intensity of 40keV electrons scattered by the same molecule. Bonham-type parameter method was selected to acheive good agreement with experimental results and the charge redistribution was determined according to these parameters. Further comparison was made between different methods and their results.
出处
《物理化学学报》
SCIE
CAS
CSCD
北大核心
1995年第7期663-666,共4页
Acta Physico-Chimica Sinica
基金
国家自然科学基金
关键词
气相电子衍射
电荷分布
六氟化硫
Gas electron diffraction (GED), SF_6, Charge redistribution (in molecules)
