Molecular Spectroscopy by Means of ESCA III. Carbon compounds

作者: U Gelius , P F Hedén , J Hedman , B J Lindberg , R Manne

DOI: 10.1088/0031-8949/2/1-2/014

关键词:

摘要: Carbon 1s energies are measured by ESCA for a series of aliphatic saturated compounds, carbonyl and some aromatic compounds. For convenient use in chemical structure analysis the binding energy shifts correlated with charge parameter obtained from electronegativity considerations. The also analyzed terms group which electronegativities derived. A comparison is made between solid gaseous samples it shown that state effects small non-ionic observed then compared results semi-empirical ab initio molecular orbital calculations on free molecules. theoretical simplified an electrostatic potential model.

参考文章(35)
Kai Siegbahn, ESCA applied to free molecules ,(1969)
Carl Nordling, Kai Siegbahn, Anders Fahlman, ESCA : atomic, molecular and solid state structure studied by means of electron spectroscopy Published in <b>1967</b> in Uppsala by Almqvist and Wiksell. ,(1967)
Linus Pauling, The Nature of the Chemical Bond ,(1939)
S. Chandra, S. Chandra, Group electronegativity of radicals Tetrahedron. ,vol. 22, pp. 3403- 3407 ,(1966) , 10.1016/S0040-4020(01)92528-1
Rolf Manne, Molecular Orbitals and Inner‐Electron‐Shell Chemical Shifts for Sulfur and Chlorine Oxy‐anions The Journal of Chemical Physics. ,vol. 46, pp. 4645- 4651 ,(1967) , 10.1063/1.1840615
E Clementi, D.R Davis, Electronic structure of large molecular systems Journal of Computational Physics. ,vol. 1, pp. 223- 244 ,(1966) , 10.1016/0021-9991(66)90004-0
G. AXELSON, U. ERICSON, A. FAHLMAN, K. HAMRIN, J. HEDMAN, R. NORDBERG, C. NORDLING, K. SIEGBAHN, New Approach to Structure Studies in Organic Chemistry Nature. ,vol. 213, pp. 70- 71 ,(1967) , 10.1038/213070A0
Stig Hagstr�m, Carl Nordling, Kai Siegbahn, Electron spectroscopic determination of the chemical valence state European Physical Journal. ,vol. 178, pp. 439- 444 ,(1964) , 10.1007/BF01379473