Infrared spectra of deuterated monofluoroacetylene, DCCF, have been recorded in the region between 320 and 850cm(-1) at an effective resolution ranging from 0.0024 to 0.0031cm(-1). In total, 6650 rotation vibration transitions were assigned to 37 bands involving the bending states with v(4) + v(5) and |l(4)+l(5)|, respectively, up to 3, allowing the characterisation of the ground state and of 18 vibrationally excited states. The v nu(5) bending fundamental has been studied for the first time. In addition, the difference band v(3) <- v(4) has been detected and analysed. All the assigned transitions have been fitted simultaneously by adopting a model Hamiltonian that takes into account the vibration and rotation l-type resonances. Rotational transitions in the ground and in bending excited states reported in the literature have been included in the global analysis. The set of 57 derived spectroscopic parameters reproduces 6130 infrared and 90 microwave and millimetre-wave transitions satisfactorily with root mean square values of 5.3 x 10(-4) cm(-1) and 77kHz, respectively

The infrared spectrum of DCCF in the 320-850 cm-1 region:bending states up to v4+v5 = 3

VILLA, MATTIA;CANE', ELISABETTA;FUSINA, LUCIANO;
2014

Abstract

Infrared spectra of deuterated monofluoroacetylene, DCCF, have been recorded in the region between 320 and 850cm(-1) at an effective resolution ranging from 0.0024 to 0.0031cm(-1). In total, 6650 rotation vibration transitions were assigned to 37 bands involving the bending states with v(4) + v(5) and |l(4)+l(5)|, respectively, up to 3, allowing the characterisation of the ground state and of 18 vibrationally excited states. The v nu(5) bending fundamental has been studied for the first time. In addition, the difference band v(3) <- v(4) has been detected and analysed. All the assigned transitions have been fitted simultaneously by adopting a model Hamiltonian that takes into account the vibration and rotation l-type resonances. Rotational transitions in the ground and in bending excited states reported in the literature have been included in the global analysis. The set of 57 derived spectroscopic parameters reproduces 6130 infrared and 90 microwave and millimetre-wave transitions satisfactorily with root mean square values of 5.3 x 10(-4) cm(-1) and 77kHz, respectively
2014
Mattia Villa; Elisabetta Canè; Luciano Fusina; Hans Burger; Marion Litz
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11585/274713
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