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ANALYTICAL EXPRESSIONS OF FREQUENCIES, DIPOLE STRENGTHS AND ROTATIONAL STRENGTHS FOR OVERTONE TRANSITIONS IN A DISSYMMETRIC HCCH FRAGMENT

Please use this identifier to cite or link to this item: http://hdl.handle.net/1811/20765

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dc.creator Gangemi, R. en_US
dc.creator Longhi, G. en_US
dc.creator Lebon, F. en_US
dc.creator Abbate, S. en_US
dc.date.accessioned 2006-06-15T20:33:18Z
dc.date.available 2006-06-15T20:33:18Z
dc.date.issued 2003 en_US
dc.identifier 2003-FD-07 en_US
dc.identifier.uri http://hdl.handle.net/1811/20765
dc.description $^{a}$ S. Abbate, R. Gangemi, G. Longhi, J. Chem. Phys. 117, 7575(2002) $^{b}$ G. Longhi, L. Ricard, S. Abbate, G. Zerbi, J. Chem. Phys. 88, 6733(1988) $^{c}$ G. Amat, H. H. Nielsen, G. Tarrago, Rotation-Vibrations spectra of Polyatomic Molecules, M. Dekker, New York $^{d}$ L. Halonen, Adv. Chem. Phys. 104, 41(1998) $^{e}$ X. G. Wang, E. L. Sibert III, J. Chem. Phys. 113, 5384(2000) en_US
dc.description Author Institution: Dipartimento di Scienze Biomediche e Biotecnologie, Universit\'{e} di Brescia en_US
dc.description.abstract In a recent $paper^{a}$ we derived useful analytical expressions for frequencies, dipole strengths and rotational strengths for CH-stretching transitions $\Delta v = 1, 2, 3$ in a two degrees of freedom model of an HCCH fragment endowed with C2-symmetry. The model includes mechanical and electrical $anharmonicities{^{b}}$, which are dealt with by second order Van Vleck perturbation $theory{^{c}}$; expressions are derived through a computer algebraic manipulator. This dynamical study has been pursued quite efficiently also by other $authors{^{d e}}$, with Hamiltonians written in second quantization formalism. Herein we report on an update of our approach, that includes ideas derived from refs. (d) and (e), and allows us to deal with CH-stretching overtones dipole and rotational strengths up to $\Delta v = 4$, for a more general fragment deprived of C2-symmetry. In the latter case a 1:1 resonance is noticed in addition to the 2:2 Darling-Dennison resonance. en_US
dc.format.extent 248842 bytes
dc.format.mimetype image/jpeg
dc.language.iso English en_US
dc.title ANALYTICAL EXPRESSIONS OF FREQUENCIES, DIPOLE STRENGTHS AND ROTATIONAL STRENGTHS FOR OVERTONE TRANSITIONS IN A DISSYMMETRIC HCCH FRAGMENT en_US
dc.type article en_US