OPTICAL ACTIVITY OF SATURATED KETONES

被引:37
作者
BOUMAN, TD
MOSCOWITZ, A
机构
[1] Department of Chemistry, University of Minnesota, Minneapolis, MN
[2] Chemistry Division, Argonne National Laboratory, Argonne, IL
关键词
D O I
10.1063/1.1669582
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
Previous theoretical treatments of the octant and quadrant rules for predicting the sign of the rotational strength of the n→π* transition in optically active saturated ketones are re-examined and combined to determine which of the two rules is better able to account for experimental results. The basis set which leads to the octant rule is found to reproduce the experimental rotational strengths fairly well. The anomalous effect of a fluorine atom is examined within the framework of a static, dissymmetric perturbation, and it is found that in this case, the method is inadequate to account for the experimental results.
引用
收藏
页码:3115 / +
页数:1
相关论文
共 33 条
[11]   ON EVALUATION OF ELECTRIC AND MAGNETIC DIPOLE TRANSITION MOMENTS IN ZDO APPROXIMATION [J].
HANSEN, AE .
THEORETICA CHIMICA ACTA, 1966, 6 (04) :341-&
[12]   VARIATIONAL CALCULATION OF ETHYLENE [J].
HUZINAGA, S .
JOURNAL OF CHEMICAL PHYSICS, 1962, 36 (02) :453-&
[13]   CHARACTERIZATION OF ELECTRONIC TRANSITIONS IN COMPLEX MOLECULES [J].
KASHA, M .
DISCUSSIONS OF THE FARADAY SOCIETY, 1950, (09) :14-19
[14]   Theories of optical rotatory power [J].
Kauzmann, WJ ;
Walter, JE ;
Eyring, H .
CHEMICAL REVIEWS, 1940, 26 (03) :339-407
[15]   PI-ELECTRON APPROXIMATION AND ITS POSSIBLE REFINEMENT [J].
LYKOS, PG ;
PARR, RG .
JOURNAL OF CHEMICAL PHYSICS, 1956, 24 (06) :1166-1173
[16]   The long wave-length spectra of aldehydes and ketones - Part I. Saturated aldehydes and ketones [J].
McMurry, HL .
JOURNAL OF CHEMICAL PHYSICS, 1941, 9 (03) :231-240
[17]   STRUCTURE AND OPTICAL ROTATORY DISPERSION OF SATURATED KETONES [J].
MOFFITT, W ;
WOODWARD, RB ;
MOSCOWITZ, A ;
KLYNE, W ;
DJERASSI, C .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1961, 83 (19) :4013-&
[18]   THEORETICAL ASPECTS OF OPTICAL ACTIVITY .1. SMALL MOLECULES [J].
MOSCOWITZ, A .
ADVANCES IN CHEMICAL PHYSICS, 1962, 4 :67-112
[19]  
MOSCOWITZ A, 1961, 139 M AM CHEM SOC ST
[20]  
MOSCOWITZ A, UNPUBLISHED WORK