Journal article

Publication year: 2011

Pages: 12-20

Journal: Journal of Molecular Spectroscopy

Volume number: 269

Issue number: 1

ISSN: 0022-2852

DOI Link: https://doi.org/10.1016/j.jms.2011.04.010

Publisher: Elsevier

Abstract: 
The emission spectrum of HCN has been recorded at 1463 K using hot gas molecular emission (HOTGAME) spectroscopy in the wavenumber region of 2900-3500 cm(-1) with a resolution of 0.01 cm(-1). The dense emission spectrum was analyzed with the spectrum analysis software SyMath (TM) implemented in the Mathematica (TM) computer algebra system. This work reports the analysis of the 1 nu(1)(2) 0 -> 0 nu(1)(2)0 band series up to nu(2) = 8 and of the 1 nu(1)(2)1 -> 0 nu(1)(2)1 band series up to nu(2) = 6.36 rovibronic (nu(1), nu(2), l, e/f, nu(3)) substates of HCN including all l = 0,2,4,6,8 sublevels of the nu(1)nu(2)nu(3) = 18(l)0 highly excited bending combination mode have been characterized for the first time and for the 22 known vibrational sublevels it was possible to improve the existing spectroscopic constants substantially. 18 (nu(1), nu(2), l, nu(3)) vibrational sublevels are located for the first time relative to the 00(0)0 state. The analysis reported here includes rovibrational states up to very large rotational excitations of J = 60-80. For the 1 nu(1)(2)0 combination states the rotational states have been determined up to J = 86 which corresponds to 7000 cm-1 rotational excitation energy, this state is only 2000 cm(-1) below the isomerization barrier. It was possible to determine for the first time the L-nu high order rotational constant for many states reported in this work. (C) 2011 Elsevier Inc. All rights reserved.

Harvard Citation style: Mellau, G. (2011) The ν1 band system of HCN, Journal of Molecular Spectroscopy, 269(1), pp. 12-20. https://doi.org/10.1016/j.jms.2011.04.010

APA Citation style: Mellau, G. (2011). The ν1 band system of HCN. Journal of Molecular Spectroscopy. 269(1), 12-20. https://doi.org/10.1016/j.jms.2011.04.010