Coriolis interactions in benzene-water and related complexes

Halder, Prasenjit

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https://hdl.handle.net/2142/107513 Copy

Description

Title

Coriolis interactions in benzene-water and related complexes

Author(s)

Halder, Prasenjit

Contributor(s)

• Arunan, Elangannan
• Krishnan, Mangala Sunder

Issue Date

2020-06-24

Keyword(s)

Mini-symposium: Large Amplitude Motions

Abstract

Microwave spectra of benzene-water and related complexes\footnote{S. Suzuki, P. G. Green, R. E. Bumgarner, S. Dasgupta, W. A. Goddard, G. A. Blake, Science 257 (1992) 942-945; H. S. Gutowsky, T. Emilsson, E. Arunan, J. Chem. Phys. 99 (1993) 4883-4893; E. Arunan, T. Emilsson, H. S. Gutowsky, J. Chem. Phys. 101 (1994) 861-868; B. R. Prasad, M. S. Krishnan, E. Arunan, J. Mol. Spectrosc. 232 (2005) 308-314; T. Emilsson, H. S. Gutowsky, G. de Oliveira, C. E. Dykstra, J. Chem. Phys. 112 (2000) 1287-1294; L. Evangelisti, K. Brendel, H. M\"{a}der, W. Caminati, S. Melandri, Angew. Chem. Int. Ed., 56 (2017) 13699-13703; W. Caminati, A. Maris, A. Dell'Erba, P. G. Favero, Angew. Chem. Int. Ed. 45 (2006) 6711-6714; D. M. Bittner, D. P. Zaleski, S. L. Stephens, N. R. Walker, A. C. Legon, ChemPhysChem 16 (2015) 2630-2634.} have been fit in the past using a free internal rotor model, which was first proposed for the $\mathrm{CF_3H-NH_3}$ complex\footnote{G. T. Fraser, F. J. Lovas, R. D. Suenram, D. D. Nelson, W. Klemperer, J. Chem. Phys. 84 (1986) 5983-5988.}. Not all the lines observed experimentally could be fit using excited state torsional quantum number as an additional quantum state for the observed microwave transitions. Some of the lines give an RMS deviation of several hundred kHz if included in the fit. A detailed study of the literature revealed that a very similar spectral pattern was observed for the vibrationally excited state ($\mathrm{V_6=1}$ or $\mathrm{V_8=1}$) of the $\mathrm{CF_3NC}$ molecule, consisting of a relatively compact central group of lines flanked by two equidistant single lines\footnote{D. Christen, K. Ramme, Z. Naturforsch. A 39 (1984) 865-870.}. We propose a Hamiltonian\footnote{K. M. T. Yamada, M. Bester, M. Tanimoto, G. Winnewisser, J. Mol. Spectrosc. 126 (1987) 118-128; H. W. Kroto, Molecular Rotation Spectra, Dover Publications, Inc., Mineola, New York, 2003.}, including Coriolis interactions for an axially symmetric top molecule to fit the excited state spectra of benzene-water and related molecular complexes published so far by including all the omitted lines. We show that the new fit leads to RMS deviations within experimental accuracy. Details will be presented in the talk.

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

Text

Language

eng

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http://hdl.handle.net/2142/107513

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Copyright 2020 is held by the Author(s)

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