Spectral Analysis of Two Coupled Diatomic Rotor Molecules

被引:1
|
作者
Crogman, Horace T. [1 ]
Harter, William G. [2 ]
机构
[1] Inst Effect Thinking, Riverside, CA 95340 USA
[2] Univ Arkansas, Dept Phys, Fayetteville, AR 72701 USA
来源
关键词
symmetry; molecular dynamics; BOA; coupled rotors; FRAME TRANSFORMATION RELATIONS; POLYATOMIC-MOLECULES; INTERNAL-ROTATION; DIMERS;
D O I
10.3390/ijms151119662
中图分类号
Q5 [生物化学]; Q7 [分子生物学];
学科分类号
071010 ; 081704 ;
摘要
In a previous article the theory of frame transformation relation between Body Oriented Angular (BOA) states and Lab Weakly Coupled states (LWC) was developed to investigate simple rotor-rotor interactions. By analyzing the quantum spectrum for two coupled diatomic molecules and comparing it with spectrum and probability distribution of simple models, evidence was found that, as we move from a LWC state to a strongly coupled state, a single rotor emerges in the strong limit. In the low coupling, the spectrum was quadratic which indicates the degree of floppiness in the rotor-rotor system. However in the high coupling behavior it was found that the spectrum was linear which corresponds to a rotor deep in a well.
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页码:19662 / 19681
页数:20
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