NON-STEREOSPECIFICITY IN NEUTRAL 1,1-ADDITION TO ISOCYANIDES - AN ABINITIO STUDY OF THE REACTIONS OF HNC WITH WATER, AMMONIA, WATER DIMER, AMMONIA DIMER, AND THE WATER AMMONIA COMPLEX

被引:9
作者
NGUYEN, MT [1 ]
HEGARTY, AF [1 ]
机构
[1] UNIV COLL BELFIELD,DEPT CHEM,DUBLIN 4,IRELAND
来源
JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2 | 1987年 / 11期
关键词
D O I
10.1039/p29870001675
中图分类号
O62 [有机化学];
学科分类号
070303 ; 081704 ;
摘要
引用
收藏
页码:1675 / 1681
页数:7
相关论文
共 25 条
[1]  
BERTRAN J, 1985, J MOL STRUC-THEOCHEM, V123, P211
[2]  
BETRAN J, 1983, INT J QUANTUM CHEM, V23, P587
[3]   SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .21. SMALL SPLIT-VALENCE BASIS-SETS FOR 1ST-ROW ELEMENTS [J].
BINKLEY, JS ;
POPLE, JA ;
HEHRE, WJ .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1980, 102 (03) :939-947
[4]  
BINKLEY JS, PROGRAM GAUSSIAN 82
[6]   SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .25. SUPPLEMENTARY FUNCTIONS FOR GAUSSIAN-BASIS SETS [J].
FRISCH, MJ ;
POPLE, JA ;
BINKLEY, JS .
JOURNAL OF CHEMICAL PHYSICS, 1984, 80 (07) :3265-3269
[7]   INFLUENCE OF POLARIZATION FUNCTIONS ON MOLECULAR-ORBITAL HYDROGENATION ENERGIES [J].
HARIHARA.PC ;
POPLE, JA .
THEORETICA CHIMICA ACTA, 1973, 28 (03) :213-222
[8]   N-AMINOISOCYANIDES BY 1,1-ELIMINATION FROM FORMIMIDOYL CHLORIDE [J].
HEGARTY, AF ;
CUNNINGHAM, I .
JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 1986, (15) :1196-1196
[9]   STEREOSPECIFIC FORMATION OF AMIDINES BY 1,1-ADDITION OF AMINES TO ISOCYANIDES [J].
HEGARTY, AF ;
CHANDLER, A .
TETRAHEDRON LETTERS, 1980, 21 (09) :885-888
[10]   SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .20. BASIS SET FOR CORRELATED WAVE-FUNCTIONS [J].
KRISHNAN, R ;
BINKLEY, JS ;
SEEGER, R ;
POPLE, JA .
JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (01) :650-654