POTENTIAL FUNCTION OF INTERNAL-ROTATION OF (CH3)2CCLNO, CH3CCL2NO, AND THEIR DEUTERIUM ANALOGS

被引:0
作者
TREPALIN, SV
YARKOV, AV
SOKOLOV, VB
IVANOV, AN
机构
[1] Institute of Physiologically Active Substances, Academy of Sciences of the USSR, Chernogolovka
来源
BULLETIN OF THE ACADEMY OF SCIENCES OF THE USSR DIVISION OF CHEMICAL SCIENCE | 1990年 / 39卷 / 03期
关键词
D O I
10.1007/BF00959564
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
The potential function has been constructed for internal rotation of the NO-group in (CH3)2CClNO, CH3CCl2NO, and their deuterium analogs. It has been established that the N=O bond in the cisCl conformer of CH3CCl2NO does not eclipse the C-Cl bond, rather forming an angle of approximately 30‡. It has been shown that a change in substitutent on the α-carbon atom may produce a substantial change in the form of the potential function of internal rotation (PFIR) of the NO group. © 1990 Plenum Publishing Corporation.
引用
收藏
页码:476 / 480
页数:5
相关论文
共 10 条
[1]  
ABRAMENKOV AV, 1981, ZH STRUKT KHIM, V22, P42
[2]  
CRADOCK S, 1986, J MOL STRUCT, V40, P199
[3]   MICROWAVE, INFRARED, AND RAMAN-SPECTRA, CONFORMATIONAL STABILITY, STRUCTURE, DIPOLE-MOMENT, AND VIBRATIONAL ASSIGNMENT FOR CYCLOPROPYL ISOCYANATE [J].
DURIG, JR ;
BERRY, RJ ;
WURREY, CJ .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1988, 110 (03) :718-726
[4]  
Durig JR, 1981, VIBRATIONAL SPECTRA, V9, P255
[5]  
ERNSTING NP, 1983, LASER SPECTROSC, V6, P262
[6]   SINGULAR VALUE DECOMPOSITION AND LEAST SQUARES SOLUTIONS [J].
GOLUB, GH ;
REINSCH, C .
NUMERISCHE MATHEMATIK, 1970, 14 (05) :403-&
[7]   COMBINED MICROWAVE OPTICAL BARRIER DETERMINATION FOR MOLECULES WITH A HEAVY SYMMETRICAL INTERNAL TOP - CF3NO AND CF3CHO [J].
KNIGHT, DW ;
COX, AP .
CHEMICAL PHYSICS LETTERS, 1986, 132 (02) :103-107
[8]   PERIODIC POTENTIAL FUNCTIONS FOR PSEUDOROTATION AND INTERNAL-ROTATION [J].
LEWIS, JD ;
MALLOY, TB ;
CHAO, TH ;
LAANE, J .
JOURNAL OF MOLECULAR STRUCTURE, 1972, 12 (03) :427-&
[9]  
TREPALIN SV, 1989, IZV AKAD NAUK SSSR K, P1338
[10]  
TREPALIN SV, 1989, IZV AKAD NAUK SSSR K, P2536