Rotational spectra and structures of Rg-C6H6-H2O trimers and the Ne-C6H6 dimer (Rg=Ne, Ar, or Kr)

Arunan, E. ; Emilsson, T. ; Gutowsky, H. S. (1994) Rotational spectra and structures of Rg-C6H6-H2O trimers and the Ne-C6H6 dimer (Rg=Ne, Ar, or Kr) The Journal of Chemical Physics, 101 (2). p. 861. ISSN 0021-9606

Full text not available from this repository.

Official URL:

Related URL:


Rotational spectra of Rg-C6H6-H2O isotopomers, where Rg=Ne, Ar, or Kr, have been observed with a Balle-Flygare Fourier transform microwave spectrometer. In these trimers the benzene is sandwiched between the rare gas and H2O. Isotopic substitution and inertial analyses show that the Rg-C6H6 distance in the trimer is reduced by about 0.01 Å for Ne, Ar, and Kr compared to the corresponding distance in the Rg-C6H6 dimer. On the other hand, the c.m. (C6H6) to c.m. (H2O) distance in the trimers is increased by only about 0.003 Å from its distance in the dimer. Symmetric top spectra of 20Ne-C6H6 and 22Ne-C6H6 were observed as an aid in the comparison. Hyperfine structure (hfs) and substitution analyses with HDO/D2O containing isotopomers reveal that the m=0 and 1 states of H2O in the trimer are virtually unchanged from those in the C6H6-H2O dimer, including essentially free rotation. In addition, analyses are made of the root-mean square (rms) deviation for the benzene C6 axis from the a axis in the dimers (∼19 deg) and trimers (∼21 deg) and of the displacement of the C2 axis of the water from the a axis in the trimers (∼37 deg).

Item Type:Article
Source:Copyright of this article belongs to American Institute of Physics.
Keywords:Microwave Spectra; Polyatomic Molecules; Neon Complexes; Argon Complexes; Krypton Complexes; Benzene; Water; Fourier Transform Spectrometers; Hyperfine Structure; Heavy Water; Hydrogen Deuteride
ID Code:48046
Deposited On:14 Jul 2011 06:47
Last Modified:14 Jul 2011 06:47

Repository Staff Only: item control page