The ionization potentials of methyl cyanide and methyl acetylene by photoelectron spectroscopy and semi-rigorous LCAOSCF calculations

被引：59

作者：

Frost, D. C.

Herring, F. G.

McDowell, C. A.

Stenhouse, I. A.

机构：

来源：

CHEMICAL PHYSICS LETTERS | 1970年 / 4卷 / 09期

关键词：

D O I：

10.1016/0009-2614(70)87054-3

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The photoelectron spectra of methyl cyanide. methyl cyanide-d(3), and methyl acetylene have ken measured using the 584 angstrom helium resonance line as B light source. On the basis of CNDO/2 and INDO calculations the ionization potentials determined are assigned to ionizing processes from the various orbitals in these molecules.

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页码：533 / 536

页数：4

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