VINYLIDENE RADICAL CATION - A SIZABLE BARRIER TO UNIMOLECULAR REARRANGEMENT TO THE ACETYLENE RADICAL CATION

被引：14

作者：

HAMILTON, TP ^{[1
]}

SCHAEFER, HF ^{[1
]}

机构：

[1] UNIV GEORGIA,CTR COMPUTAT QUANTUM CHEM,ATHENS,GA 30602

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1989年 / 93卷 / 22期

关键词：

D O I：

10.1021/j100359a010

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

页码：7560 / 7562

页数：3

共 30 条

[1] ON THE STABILITY OF THE VINYLIDENE RADICAL CATION [J].

BAKER, J .

CHEMICAL PHYSICS LETTERS, 1989, 159 (5-6) :447-451

[2] TRIS(METHYLIDENE)-CYCLOPROPANE ([3]RADIALENE) .1. ENTHALPY OF FORMATION AND STRAIN-ENERGY [J].

BALLY, T ;

BAUMGARTEL, H ;

BUCHLER, U ;

HASELBACH, E ;

LOHR, W ;

MAIER, JP ;

VOGT, J .

HELVETICA CHIMICA ACTA, 1978, 61 (02) :741-753

[3] ANALYTIC GRADIENTS FROM CORRELATED WAVE-FUNCTIONS VIA THE 2-PARTICLE DENSITY-MATRIX AND THE UNITARY GROUP-APPROACH [J].

BROOKS, BR ;

LAIDIG, WD ;

SAXE, P ;

GODDARD, JD ;

YAMAGUCHI, Y ;

SCHAEFER, HF .

JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (08) :4652-4653

[4] OBSERVATION OF X1A1 VINYLIDENE BY PHOTOELECTRON-SPECTROSCOPY OF THE C2H2-ION [J].

BURNETT, SM ;

STEVENS, AE ;

FEIGERLE, CS ;

LINEBERGER, WC .

CHEMICAL PHYSICS LETTERS, 1983, 100 (02) :124-128

[5] VINYLIDENE - POTENTIAL-ENERGY SURFACE AND UNIMOLECULAR REACTION DYNAMICS [J].

CARRINGTON, T ;

HUBBARD, LM ;

SCHAEFER, HF ;

MILLER, WH .

JOURNAL OF CHEMICAL PHYSICS, 1984, 80 (09) :4347-4354

[6] THE PREFERRED STRUCTURE OF C2H2 [J].

CHANDRASEKHAR, J ;

KAHN, RA ;

SCHLEYER, PV .

CHEMICAL PHYSICS LETTERS, 1982, 85 (5-6) :493-495

[7] ABSENCE OF AN ENERGETICALLY VIABLE PATHWAY FOR TRIPLET 1,2 HYDROGEN SHIFTS - A THEORETICAL-STUDY OF VINYLIDENE-ACETYLENE ISOMERIZATION [J].

CONRAD, MP ;

SCHAEFER, HF .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1978, 100 (25) :7820-7823

[8]

DAWSON JH, 1974, ADV MASS SPECTROM, V6, P797

[9] GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .1. CONTRACTION OF (9S5P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS [J].

DUNNING, TH .

JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (07) :2823-+

[10]

ERVIN KM, UNPUB J CHEM PHYS

← 1 2 3 →