STRUCTURES AND SPECTRA OF ISOMERS HNCO, HOCN, HONC, AND HCNO FROM ABINITIO QUANTUM-MECHANICAL CALCULATIONS

被引:80
作者
MCLEAN, AD
LOEW, GH
BERKOWITZ, DS
机构
[1] IBM CORP, RES LAB, SAN JOSE, CA 95153 USA
[2] STANFORD UNIV, MED CTR, DEPT, STANFORD, CA 94305 USA
[3] NASA, AMES RES CTR, CHEM EVOLUT BRANCH, MOFFETT FIELD, CA 94035 USA
关键词
D O I
10.1016/0022-2852(77)90258-2
中图分类号
O64 [物理化学(理论化学)、化学物理学]; O56 [分子物理学、原子物理学];
学科分类号
070203 ; 070304 ; 081704 ; 1406 ;
摘要
引用
收藏
页码:184 / 198
页数:15
相关论文
共 18 条
[1]   HNCO IN GALACTIC CENTER [J].
BUHL, D ;
SNYDER, LE ;
SCHWARTZ, PR ;
EDRICH, J .
NATURE, 1973, 243 (5409) :513-514
[2]   DETECTION OF MILLIMETER WAVE SPECTRUM OF HYDROGEN ISOCYANIDE, HNC [J].
CRESWELL, RA ;
PEARSON, EF ;
WINNEWISSER, M ;
WINNEWISSER, G .
ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES, 1976, 31 (3-4) :221-224
[3]   TENTATIVE IDENTIFICATION OF U93.174 AS MOLECULAR ION N2H+ [J].
GREEN, S ;
MONTGOMERY, JA ;
THADDEUS, P .
ASTROPHYSICAL JOURNAL, 1974, 193 (02) :L89-L91
[4]   INFRA-RED SPECTRUM AND STRUCTURE OF THE HNCO MOLECULE [J].
HERZBERG, G ;
REID, C .
DISCUSSIONS OF THE FARADAY SOCIETY, 1950, (09) :92-99
[5]   THEORETICAL SUPPORT FOR IDENTIFICATION OF MICROWAVE LINE AT 93.174 GHZ AS BEING DUE TO MOLECULAR ION N2H+ [J].
HILLIER, IH ;
KENDRICK, J .
JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 1975, (13) :526-527
[6]   MICROWAVE AND MILLIMETER WAVE SPECTRUM, MOLECULAR-CONSTANTS, DIPOLE-MOMENT, AND STRUCTURE OF ISOCYANIC ACID, HNCO [J].
HOCKING, WH ;
GERRY, MCL ;
WINNEWISSER, G .
CANADIAN JOURNAL OF PHYSICS, 1975, 53 (19) :1869-1901
[7]   LOW-TEMPERATURE INFRARED STUDY OF INTERMEDIATES IN PHOTOLYSIS OF HNCO + DNCO [J].
JACOX, ME ;
MILLIGAN, DE .
JOURNAL OF CHEMICAL PHYSICS, 1964, 40 (09) :2457-+
[8]   THE MOLECULAR STRUCTURE OF ISOCYANIC ACID FROM MICROWAVE AND INFRA-RED ABSORPTION SPECTRA [J].
JONES, LH ;
SHOOLERY, JN ;
SHULMAN, RG ;
YOST, DM .
JOURNAL OF CHEMICAL PHYSICS, 1950, 18 (07) :990-991
[9]   HNC MOLECULE IN INTERSTELLAR SPACE - SOME PERTINENT THEORETICAL CALCULATIONS [J].
PEARSON, PK ;
BLACKMAN, GL ;
SCHAEFER, HF ;
ROOS, B ;
WAHLGREN, U .
ASTROPHYSICAL JOURNAL, 1973, 184 (01) :L19-L22
[10]   SOME PROPERTIES OF H2CN+ - POTENTIALLY IMPORTANT INTERSTELLAR SPECIES [J].
PEARSON, PK ;
SCHAEFER, HF .
ASTROPHYSICAL JOURNAL, 1974, 192 (01) :33-36