VIBRATIONAL FREQUENCIES OF THE HCCN MOLECULE - A NEAR DEGENERACY BETWEEN BENT CYANOCARBENE AND LINEAR ALLENE-RELATED GEOMETRIES

被引：53

作者：

KIM, KS

SCHAEFER, HF

RADOM, L

POPLE, JA

BINKLEY, JS

机构：

[1] UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB, BERKELEY, CA 94720 USA

[2] UNIV CALIF BERKELEY, DEPT CHEM, BERKELEY, CA 94720 USA

[3] AUSTRALIAN NATL UNIV, RES SCH CHEM, CANBERRA, ACT 2600, AUSTRALIA

[4] CARNEGIE MELLON UNIV, DEPT CHEM, PITTSBURGH, PA 15213 USA

[5] SANDIA NATL LABS, DIV THEORET, LIVERMORE, CA 94550 USA

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1983年 / 105卷 / 13期

关键词：

D O I：

10.1021/ja00351a004

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：4148 / 4154

页数：7

共 39 条

[1]

BAIRD NC, 1978, J AM CHEM SOC, V100, P1333, DOI 10.1021/ja00473a001

[2] NEW THEORETICAL EVIDENCE FOR NONLINEARITY OF TRIPLET GROUND STATE OF METHYLENE [J].

BENDER, CF ;

SCHAEFER, HF .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1970, 92 (16) :4984-+

[3] ELECTRONIC SPLITTING BETWEEN 2B1 AND 2A1 STATES OF NH2 RADICAL [J].

BENDER, CF ;

SCHAEFER, HF .

JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (10) :4798-&

[4] ELECTRON PARAMAGNETIC RESONANCE OF TRIPLET ALTERNANT METHYLENES . PROPARGYLENE AND HOMOLOGS [J].

BERNHEIM, RA ;

KEMPF, RJ ;

GRAMAS, JV ;

SKELL, PS .

JOURNAL OF CHEMICAL PHYSICS, 1965, 43 (01) :196-&

[5] PARAMAGNETIC RESONANCE OF TRIPLET CYANOMETHYLENE [J].

BERNHEIM, RA ;

SKELL, PS ;

HUMER, PW ;

KEMPF, RJ .

JOURNAL OF CHEMICAL PHYSICS, 1964, 41 (04) :1156-&

[6] ELECTRON PARAMAGNETIC RESONANCE OF TRIPLET CH2 [J].

BERNHEIM, RA ;

BERNARD, HW ;

WANG, PS ;

WOOD, LS ;

SKELL, PS .

JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (03) :1280-&

[7]

BERNHEIM RA, 1970, J MAGN RESON, V3, P5

[8] SCF WAVEFUNCTIONS FOR NH3 MOLECULE . POTENTIAL-ENERGY SURFACE AND VIBRATIONAL FORCE CONSTANTS [J].

BODY, RG ;

MCCLURE, DS .

JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (11) :4916-&

[9] ELECTRONIC WAVEFUNCTIONS FOR ATOMS .3. PARTITION OF DEGENERATE SPACES AND GROUND STATE OF C [J].

BUNGE, A .

JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (01) :20-&

[10] HCNO AS A SEMIRIGID BENDER [J].

BUNKER, PR ;

LANDSBERG, BM ;

WINNEWISSER, BP .

JOURNAL OF MOLECULAR SPECTROSCOPY, 1979, 74 (01) :9-25

← 1 2 3 4 →