Internal dynamics in the molecular complex of CF3CN and H2O

Wei Lin; Anan Wu; Xin Lu; Xiao Tang; Daniel A. Obenchain; Stewart E. Novick

doi:10.1039/C5CP01550B

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Internal dynamics in the molecular complex of CF₃CN and H₂O†

Wei Lin,*^a Anan Wu,*^b Xin Lu,^b Xiao Tang,^b Daniel A. Obenchain^c and Stewart E. Novick^c

Author affiliations

* Corresponding authors

^a Department of Chemistry, University of Texas Rio Grande Valley, One West University Blvd., Brownsville, TX 78520, USA
E-mail: wei.lin@utrgv.edu

^b State Key Laboratory of Physical Chemistry of Solid Surface, and Department of Chemistry, College of Chemistry and Chemical Engineering and School of Life Science, Xiamen University, Xiamen, China
E-mail: ananwu@xmu.edu.cn

^c Department of Chemistry, Wesleyan University, 52 Lawn Ave., Middletown, CT 06459, USA

Abstract

The rotational spectrum of trifluoroacetonitrile–water complex has been studied by pulsed-nozzle, Fourier transform microwave spectroscopy. Both a-type and b-type transitions have been observed. The rotational constants, centrifugal distortion constants, and the ¹⁴N nuclear quadrupole coupling constants have been determined. The complex is T-shaped, with the oxygen atom from the water located 3.135 Å from the carbon atom of CF₃ of the trifluoroacetonitrile molecule.

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Article information

DOI: https://doi.org/10.1039/C5CP01550B
Article type: Paper
Submitted: 17 Mar 2015
Accepted: 29 May 2015
First published: 01 Jun 2015

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Phys. Chem. Chem. Phys., 2015,17, 17266-17270

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Internal dynamics in the molecular complex of CF₃CN and H₂O

W. Lin, A. Wu, X. Lu, X. Tang, D. A. Obenchain and S. E. Novick, Phys. Chem. Chem. Phys., 2015, 17, 17266 DOI: 10.1039/C5CP01550B

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