THEORETICAL-STUDY OF THE ETHENYL RADICAL IN THE ELECTRONIC GROUND AND EXCITED-STATES

被引:57
作者
PADDONROW, MN [1 ]
POPLE, JA [1 ]
机构
[1] CARNEGIE MELLON UNIV, DEPT CHEM, PITTSBURGH, PA 15213 USA
关键词
D O I
10.1021/j100259a014
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:2768 / 2771
页数:4
相关论文
共 13 条
[1]   ESR STUDY OF ETHYNYL + VINYL FREE RADICALS [J].
COCHRAN, EL ;
ADRIAN, FJ ;
BOWERS, VA .
JOURNAL OF CHEMICAL PHYSICS, 1964, 40 (01) :213-&
[2]   AN UNUSUAL OCCURRENCE OF CHEMI-LUMINESCENCE RESULTING FROM METAL-AMMONIA REDUCTIVE DEHALOGENATION REACTIONS [J].
COTSARIS, E ;
PADDONROW, MN .
JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 1984, (02) :95-96
[3]   ELECTRON SPIN RESONANCE STUDIES OF TRANSIENT ALKYL RADICALS [J].
FESSENDEN, RW ;
SCHULER, RH .
JOURNAL OF CHEMICAL PHYSICS, 1963, 39 (09) :2147-&
[4]   ABINITIO CALCULATION OF THE TRANSITION-STATE PROPERTIES AND ADDITION RATE CONSTANTS FOR H + C2H2 AND SELECTED ISOTOPIC ANALOGS [J].
HARDING, LB ;
WAGNER, AF ;
BOWMAN, JM ;
SCHATZ, GC ;
CHRISTOFFEL, K .
JOURNAL OF PHYSICAL CHEMISTRY, 1982, 86 (22) :4312-4327
[5]   INFLUENCE OF POLARIZATION FUNCTIONS ON MOLECULAR-ORBITAL HYDROGENATION ENERGIES [J].
HARIHARA.PC ;
POPLE, JA .
THEORETICA CHIMICA ACTA, 1973, 28 (03) :213-222
[6]   SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .12. FURTHER EXTENSIONS OF GAUSSIAN-TYPE BASIS SETS FOR USE IN MOLECULAR-ORBITAL STUDIES OF ORGANIC-MOLECULES [J].
HEHRE, WJ ;
DITCHFIELD, R ;
POPLE, JA .
JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (05) :2257-+
[7]   VISIBLE ELECTRONIC ABSORPTION-SPECTRUM OF VINYL RADICAL [J].
HUNZIKER, HE ;
KNEPPE, H ;
MCLEAN, AD ;
SIEGBAHN, P ;
WENDT, HR .
CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE, 1983, 61 (05) :993-995
[8]   KINETIC ISOTOPE EFFECT OF CHEMICALLY ACTIVATED VINYL RADICALS [J].
KOWARI, K ;
SUGAWARA, K ;
SATO, S ;
NAGASE, S .
BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, 1981, 54 (04) :1222-1226
[9]  
LATHAN WA, 1974, PROGR PHYS ORG CHEM, V11, P175
[10]   ABINITIO MECHANISTIC STUDY OF RADICAL REACTIONS - TRANSITION-STATES AND REACTION BARRIERS FOR THE REACTION OF ATOMIC-HYDROGEN WITH ACETYLENE [J].
NAGASE, S ;
KERN, CW .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1979, 101 (10) :2544-2549