dc.creator Coudert, L. H. en_US dc.creator Pacios, L. F. en_US dc.creator Ortigoso, J. en_US dc.date.accessioned 2009-07-29T12:48:14Z dc.date.available 2009-07-29T12:48:14Z dc.date.issued 2009 en_US dc.identifier 2009-FA-05 en_US dc.identifier.uri http://hdl.handle.net/1811/38145 dc.description Friedrich and Herschbach, {\em Phys.\ Rev.\ Lett.Merer and Watson, {\em J.\ Mol.\ Spectrosc.Ramakrishna and Seideman, {\em Phys.\ Rev.\ Lett. en_US dc.description Author Institution: LISA, UMR 7583 CNRS/Universites Paris 12 et 7, 61 Avenue du; General de Gaulle, 94010 Creteil Cedex, France; Unidad de Quimica y Bioquimica, Departamento de; Biotecnologia, ETSI Montes; Universidad Politecnica de Madrid, 28040 Madrid, Spain; Instituto de Estructura de la Materia, CSIC; Serrano 121, 28006 Madrid, Spain en_US dc.description.abstract Although the interaction of an electric field with molecular motions has been thoroughly investigated in the case of a rigid molecule,~{\bf 74} (1995) 4623.} much less results are available for a non-rigid molecule, like the biphenyl molecule, displaying an internal torsional motion strongly coupled to the electric field. The present paper reports an exact calculation of the rotation-torsion energy levels of a biphenyl molecule interacting with an electric field. This molecule, with formula (C$_6$H$_5$)$_2$, consists of two rings which can rotate about the C$-$C bond, the angle of internal rotation being taken equal to $2\gamma$, with $0\leq\gamma\leq 2\pi$. This molecule interacts with the electric field through its induced dipole moment, the interaction being described by the $\gamma$-dependent polarizability tensor. The calculation involves computing rotation-torsion energy levels and wavefunctions using the Hamiltonian derived by Merer and Watson~{\bf 47} (1973) 499.} for ethylene-like molecules. The $\gamma$-dependent electric field interaction Hamiltonian is diagonalized using these wavefunctions as a basis set. The number of energy levels thus obtained being very high, Boltzmannian equilibrium is assumed in order to evaluate average values of several operators related to the molecular orientation, the rotational wavefunction, and the torsional wavefunction. In the paper, these average values will be calculated for several temperatures in two cases: ({\em i\/}) assuming a rigid molecule and setting $\gamma$ equal to its equilibrium value, approximately 20.2$^{irc}$, and ({\em ii\/}) taking into account the non-rigidity of the molecule and solving the Schrodinger equation as outlined above. The qualitative differences arising in the case of a static electric field and in the case of a fast oscillating circular polarized field will be discussed. The possibility of torsional control of the molecule~{\bf 99} (2007) 103001.} will also be investigated. en_US dc.language.iso English en_US dc.publisher Ohio State University en_US dc.title STARK EFFECT AND TORSIONAL MOTION INTERACTION IN BIPHENYL en_US dc.type Article en_US
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