ATOM DIPOLE INTERACTION-MODEL OF RAMAN OPTICAL-ACTIVITY - REFORMULATION AND COMPARISON TO THE GENERAL 2-GROUP MODEL

被引:36
作者
PRASAD, PL
NAFIE, LA
机构
[1] Department of Chemistry, Syracuse University, Syracuse
关键词
D O I
10.1063/1.437433
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
The atom dipole interaction (ADI) model of Raman optical activity (ROA) is reformulated and the ADI expressions for the induced polarizabilities are presented in Cartesian tensor notation. These revised expressions are compared with those of the general two-group (GTG) model. It is shown that the ADI model incorporates antisymmetric tensor contributions to the polarizability which is an important source of optical activity not included in the GTG model. The ROA intensity parameters for the HCBrClF and DCBrClF are presented and the importance of the antisymmetric tensor contributions in this molecule is demonstrated. © 1979 American Institute of Physics.
引用
收藏
页码:5582 / 5588
页数:7
相关论文
共 17 条
[1]   POLARIZABILITY THEORY OF OPTICAL-ROTATION [J].
APPLEQUI.J .
JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (10) :4251-4259
[2]   ATOM DIPOLE INTERACTION-MODEL FOR MOLECULAR OPTICAL-PROPERTIES [J].
APPLEQUIST, J .
ACCOUNTS OF CHEMICAL RESEARCH, 1977, 10 (03) :79-85
[3]   ATOM DIPOLE INTERACTION MODEL FOR MOLECULAR POLARIZABILITY - APPLICATION TO POLYATOMIC-MOLECULES AND DETERMINATION OF ATOM POLARIZABILITIES [J].
APPLEQUIST, J ;
CARL, JR ;
FUNG, KK .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1972, 94 (09) :2952-+
[4]   SIMPLE 2-GROUP MODEL FOR RAYLEIGH AND RAMAN OPTICAL-ACTIVITY [J].
BARRON, LD ;
BUCKINGHAM, AD .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1974, 96 (15) :4769-4773
[5]   RAMAN OPTICAL-ACTIVITY OF TARTARIC ACID AND RELATED MOLECULES [J].
BARRON, LD .
TETRAHEDRON, 1978, 34 (05) :607-610
[6]   RAYLEIGH AND RAMAN OPTICAL-ACTIVITY [J].
BARRON, LD ;
BUCKINGHAM, AD .
ANNUAL REVIEW OF PHYSICAL CHEMISTRY, 1975, 26 :381-396
[7]  
BARRON LD, 1978, ADV INFRARED RAMAN S, V4
[8]  
BARRON LD, 1976, CHEM SOC SPEC PERIOD, V4, P96
[9]   VIBRATIONAL CIRCULAR-DICHROISM IN AMINO-ACIDS AND PEPTIDES .2. SIMPLE ALANYL PEPTIDES [J].
DIEM, M ;
GOTKIN, PJ ;
KUPFER, JM ;
NAFIE, LA .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1978, 100 (18) :5644-5650
[10]   VIBRATIONAL RAMAN OPTICAL-ACTIVITY SPECTRA RECORDED IN PERPENDICULAR POLARIZATION [J].
HUG, W ;
SURBECK, H .
CHEMICAL PHYSICS LETTERS, 1979, 60 (02) :186-192