Spectral Analysis of Two Coupled Diatomic Rotor Molecules

International Journal of Molecular Sciences

Horace T. Crogman¹  William G. Harter² 

[1]The Institute for Effective Thinking, Riverside, CA 95340, USA

[2]Department of Physics, University of Arkansas, Fayetteville, AR 72701, USA

[3] E-Mail:

关键词: symmetry;    molecular dynamics;    BOA;    coupled rotors;   

DOI  :  10.3390/ijms151119662

来源: mdpi

【 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.

【 授权许可】

CC BY   
© 2014 by the authors; licensee MDPI, Basel, Switzerland.