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Quantum dynamics of coupled translational and rotational motions of H2 inside C60

Minzhong Xu; Francesco Sebastianelli; Brittney R. Gibbons; Zlatko Bačić; Ronald Lawler; Nicholas J. Turro

Title:
Quantum dynamics of coupled translational and rotational motions of H2 inside C60
Author(s):
Xu, Minzhong
Sebastianelli, Francesco
Gibbons, Brittney R.
Bačić, Zlatko
Lawler, Ronald
Turro, Nicholas J.
Date:
Type:
Articles
Department:
Chemistry
Volume:
128
Permanent URL:
Book/Journal Title:
Journal of Chemical Physics
Abstract:
We report rigorous quantum calculations of the translation-rotation (T-R) eigenstates of the H_2 molecule in C60. The resulting level structure can be explained in terms of a few dominant features. These include the coupling between the orbital and the rotational angular momenta of H_2 to give the total angular momentum λ, and the splitting of the sevenfold degeneracy of T-R levels with λ = 3 by the nonsphericity of C60, according to the rules of the icosahedral I_h group.
Subject(s):
Chemistry
Publisher DOI:
http://dx.doi.org/10.1063/1.2828556
Item views:
150
Metadata:
text | xml
Suggested Citation:
Minzhong Xu, Francesco Sebastianelli, Brittney R. Gibbons, Zlatko Bačić, Ronald Lawler, Nicholas J. Turro, 2008, Quantum dynamics of coupled translational and rotational motions of H2 inside C60, Columbia University Academic Commons, http://hdl.handle.net/10022/AC:P:8604.

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