In:
The Journal of Chemical Physics, AIP Publishing, Vol. 149, No. 17 ( 2018-11-07)
Abstract:
Low frequency combination bands of 35Cl–(H2) and 35Cl–(D2) have been measured in the region between 600 and 1100 cm−1 by infrared predissociation spectroscopy in a cryogenic 22-pole ion trap using a free electron laser at the FELIX Laboratory as a tunable light source. The 35Cl–(H2) (35Cl–(D2)) spectrum contains three bands at 773 cm−1 (620 cm−1), 889 cm−1 (692 cm−1), and 978 cm−1 (750 cm−1) with decreasing intensity toward higher photon energies. Comparison of the experimentally determined transition frequencies with anharmonic vibrational self-consistent field and vibrational configuration interaction calculations suggests the assignment of the combination bands v1 + v2, 2v1 + v2, and 3v1 + v2 for 35Cl–(H2) and 2v1 + v2, 3v1 + v2, and 4v1 + v2 for 35Cl–(D2), where v1 is the 35Cl–⋯H2 stretching fundamental and v2 is the Cl–(H2) bend. The observed asymmetric temperature dependent line shape of the v1 + v2 transition can be modeled by a series of ∑+-∏ ro-vibrational transitions, when substantially decreasing the rotational constant in the vibrationally excited state by 35%. The spectrum of 35Cl–(D2) shows a splitting of 7 cm−1 for the strongest band which can be attributed to the tunneling of the ortho/para states of D2.
Type of Medium:
Online Resource
ISSN:
0021-9606
,
1089-7690
Language:
English
Publisher:
AIP Publishing
Publication Date:
2018
detail.hit.zdb_id:
3113-6
detail.hit.zdb_id:
1473050-9
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