ABINITIO CL STUDY OF THE ELECTRONIC-SPECTRUM OF THE ALLYL RADICAL (CH2-CH-CH2)

被引:47
作者
HA, TK [1 ]
BAUMANN, H [1 ]
OTH, JFM [1 ]
机构
[1] SWISS FED INST TECHNOL,ORGAN CHEM LAB,CH-8092 ZURICH,SWITZERLAND
关键词
D O I
10.1063/1.451234
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
引用
收藏
页码:1438 / 1442
页数:5
相关论文
共 25 条
[1]   ELECTRONIC SPECTRA OF FREE ALLYL RADICAL AND SOME OF ITS SIMPLE DERIVATIVES [J].
CALLEAR, AB ;
LEE, HK .
TRANSACTIONS OF THE FARADAY SOCIETY, 1968, 64 (542P) :308-&
[2]   ABINITIO CALCULATION OF SPIN-DENSITIES IN HYDROCARBON RADICALS [J].
CHIPMAN, DM .
JOURNAL OF CHEMICAL PHYSICS, 1979, 71 (02) :761-768
[3]   ELECTRONIC ABSORPTION SPECTRUM AND DISSOCIATION ENERGY OF ALLYL RADICAL [J].
CURRIE, CL ;
RAMSAY, DA .
JOURNAL OF CHEMICAL PHYSICS, 1966, 45 (02) :488-+
[4]   KINETIC ISOTOPE EFFECT IN THE PARTIAL OXIDATION OF PROPYLENE OVER BI2O3 [J].
DRISCOLL, DJ ;
LUNSFORD, JH .
JOURNAL OF PHYSICAL CHEMISTRY, 1983, 87 (02) :301-303
[5]  
Dunning T., 1977, METHODS ELECT STRUCT, P1
[7]   ELECTRON SPIN RESONANCE STUDIES OF TRANSIENT ALKYL RADICALS [J].
FESSENDEN, RW ;
SCHULER, RH .
JOURNAL OF CHEMICAL PHYSICS, 1963, 39 (09) :2147-&
[8]   FURTHER AB-INITIO CALCULATIONS ON ALLYL RADICAL [J].
HINCHLIF.A .
THEORETICA CHIMICA ACTA, 1972, 25 (02) :138-&
[9]   DETECTION AND INVESTIGATION OF ALLYL AND BENZYL RADICALS BY PHOTOELECTRON-SPECTROSCOPY [J].
HOULE, FA ;
BEAUCHAMP, JL .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1978, 100 (11) :3290-3294
[10]   OBSERVATION OF THE 3S 2A1 RYDBERG STATES OF ALLYL AND 2-METHYLALLYL RADICALS WITH MULTIPHOTON IONIZATION SPECTROSCOPY [J].
HUDGENS, JW ;
DULCEY, CS .
JOURNAL OF PHYSICAL CHEMISTRY, 1985, 89 (08) :1505-1509