TEMPORARY ANION STATES OF HCN, CH3CN, CH2(CN)2, SELECTED CYANOETHYLENES, BENZONITRILE, AND TETRACYANOQUINODIMETHANE

被引：111

作者：

BURROW, PD ^{[1
]}

HOWARD, AE ^{[1
]}

JOHNSTON, AR ^{[1
]}

JORDAN, KD ^{[1
]}

机构：

[1] UNIV PITTSBURGH,DEPT CHEM,PITTSBURGH,PA 15260

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1992年 / 96卷 / 19期

关键词：

D O I：

10.1021/j100198a017

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：

Electron transmission spectroscopy is employed to observe the temporary negative ion states of HCN, CH3CN, CH2(CN)2, acrylonitrile, fumaronitrile, tetracyanoethylene (TCNE), benzonitrile, and tetracyanoquinodimethane (TCNQ). The majority of the observed anion states are assigned by means of molecular orbital (MO) calculations. Stabilization calculations are carried out for fumaronitrile and TCNE and provide an important calibration of the MO calculations without stabilization.

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页码：7570 / 7578

页数：9

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