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Titolo:
Local mode behavior in the acetylene bending system
Autore:
Jacobson, MP; Silbey, RJ; Field, RW;
Indirizzi:
MIT, Dept Chem, Cambridge, MA 02139 USA MIT Cambridge MA USA 02139MIT, Dept Chem, Cambridge, MA 02139 USA MIT, George R Harrison Spect Lab, Cambridge, MA 02139 USA MIT Cambridge MA USA 02139 R Harrison Spect Lab, Cambridge, MA 02139 USA
Titolo Testata:
JOURNAL OF CHEMICAL PHYSICS
fascicolo: 2, volume: 110, anno: 1999,
pagine: 845 - 859
SICI:
0021-9606(19990108)110:2<845:LMBITA>2.0.ZU;2-C
Fonte:
ISI
Lingua:
ENG
Soggetto:
INTRAMOLECULAR VIBRATIONAL REDISTRIBUTION; ANHARMONIC-OSCILLATOR MODEL; POTENTIAL-ENERGY SURFACE; FERMI RESONANCE-SPECTRA; APPROXIMATE CONSTANTS; TRIATOMIC-MOLECULES; ABA TRIATOMICS; DYNAMICS; QUANTUM; MOTION;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Physical, Chemical & Earth Sciences
Citazioni:
63
Recensione:
Indirizzi per estratti:
Indirizzo: Jacobson, MP MIT, Dept Chem, Cambridge, MA 02139 USA MIT Cambridge MA USA02139 ept Chem, Cambridge, MA 02139 USA
Citazione:
M.P. Jacobson et al., "Local mode behavior in the acetylene bending system", J CHEM PHYS, 110(2), 1999, pp. 845-859

Abstract

The bending eigenfunctions of the acetylene (X) over tilde(1)Sigma(g)(+) state, as represented by our recently reported effective Hamiltonian [J. Chem. Phys. 109, 121 (1998)], are analyzed up to E-vib = 15 000 cm(-1). A transition from normal to local mode behavior is observed around 8000-10 000 cm(-1), such that above these energies, the eigenstates are better described in terms of local mode quantum numbers. The local mode behavior in the benddegrees of freedom of acetylene that is described here is in many ways analogous to the local mode behavior that has been observed in the stretching degrees of freedom of many ABA molecules. However, the local mode behavior in the acetylene bend degrees of freedom, because it involves two two-dimensional rather than two one-dimensional vibrational modes, encompasses a richer range of motions. Specifically, in the "local" limit, the bending eigenfunctions are describable in terms of a continuum of motions ranging from local bend (one hydrogen bending) to counter-rotation (the two hydrogens executing rotations in opposite directions). (C) 1999 American Institute of Physics. [S0021-9606(99)00702-3].

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Documento generato il 13/07/20 alle ore 18:03:44