ELECTRONIC CURRENT MODELS OF VIBRATIONAL CIRCULAR-DICHROISM

被引：5

作者：

NAFIE, LA

FREEDMAN, TB

机构：

[1] Department of Chemistry, Syracuse University, Syracuse

来源：

JOURNAL OF MOLECULAR STRUCTURE | 1990年 / 224卷

关键词：

D O I：

10.1016/0022-2860(90)87011-L

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：

Three classes of VCD intensity models are presented to explore the nature of VCD spectra whose primary electric and magnetic-dipole contributions are due to the flow of electronic charge density associated with a single driving oscillator. The models, chosen as prototypic geometrical chiral structures, consists of a three-bond fragment, a helical structure and a closed-ring structure. © 1990.

引用

页码：121 / 132

页数：12

共 46 条

[1]

ABBATE S, 1981, J CHEM PHYS, V86, P3947

[2]

BARRETGT CJ, 1980, MOL PHYS, V41, P455

[3]

BARRON LD, 1982, MOL LIGHT SCATTERING, P317

[4] VIBRATIONAL CD STUDIES OF THE SOLUTION CONFORMATION OF N-URETHANYL-L-AMINO ACID-DERIVATIVES [J].

CHERNOVITZ, AC ;

FREEDMAN, TB ;

NAFIE, LA .

BIOPOLYMERS, 1987, 26 (11) :1879-1900

[5] THE ADIABATIC APPROXIMATION IN THE GROUND-STATE MANIFOLD [J].

CRAIG, DP ;

THIRUNAMACHANDRAN, T .

CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE, 1985, 63 (07) :1773-1779

[6] OPTICAL ACTIVITY OF VIBRATIONAL ORIGIN .2. CONSEQUENCES OF POLYMER CONFORMATION [J].

DEUTSCHE, CW ;

MOSCOWIT.A .

JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (07) :2630-&

[7] OPTICAL ACTIVITY OF VIBRATIONAL ORIGIN .I. A MODEL HELICAL POLYMER [J].

DEUTSCHE, CW ;

MOSCOWIT.A .

JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (07) :3257-&

[8] A BOND-ORIGIN-INDEPENDENT FORMULATION OF THE BOND DIPOLE MODEL OF VIBRATIONAL CIRCULAR-DICHROISM [J].

ESCRIBANO, JR ;

FREEDMAN, TB ;

NAFIE, LA .

JOURNAL OF PHYSICAL CHEMISTRY, 1987, 91 (01) :46-49

[9] MOLECULAR-ORBITAL APPROACHES TO THE CALCULATION OF VIBRATIONAL CIRCULAR-DICHROISM [J].

FREEDMAN, TB ;

NAFIE, LA .

JOURNAL OF PHYSICAL CHEMISTRY, 1984, 88 (03) :496-500

[10] VIBRONIC COUPLING CALCULATIONS OF VIBRATIONAL CIRCULAR-DICHROISM INTENSITIES USING FLOATING BASIS-SETS [J].

FREEDMAN, TB ;

NAFIE, LA .

JOURNAL OF CHEMICAL PHYSICS, 1988, 89 (01) :374-384

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