Rotational Spectra and Structure of PHENYLACETYLENE-H_2S Complex

Details Rotational Spectra and Structure of PHENYLACETYLENE-H_2S Complex Rotational Spectra and Structure of PHENYLACETYLENE-H_2S Complex

Jun 2009

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2009mss..conferc06g&link_type=abstract

"International Symposium On Molecular Spectroscopy, 64th Meeting, Held 22-26 June, 2009 at Ohio State University. http://molspec

Computer Science

Microwave

Scientific paper

Rotational Spectra of phenylacetylene-H_2S, phenylacetylene-HDS, phenylacetylene-D_2S, phenylacetylene-H_2^{34}S, C_8H_5D-H_2S have been measured. The spectra were recorded using a Balle-Flygare type PNFT Microwave spectrometer[1]. Helium was used as a carrier gas for these measurements. Both `a' and `b' dipole transitions have been observed. For the parent isotopomer, all the transitions are split into two. The rotational spectra of phenylacetylene-HDS indicate that the splitting is due to the interchange of equivalent hydrogens of H_2S unit in the complex. The measured rotational constants of the parent species are A = 1206.551(7) MHz, B = 1134.152(6) MHz, C = 732.192(6) MHz for the stronger series and A = 1206.732(7)MHz, B = 1134.056(6) MHz, C = 732.141(8) MHz for the weaker series. The constants derived from the experiments confirm a structure where H_2S is placed perpendicular to the plane of the phenylacetylene molecule. This study reveals that the binding of H_2O and H_2S to the phenylacetylene molecule is very different. Microwave spectroscopic investigations confirmed that H_2O prefers to be in plane of the phenylacetylene, donating one of its hydrogen to the acetylenic π cloud while the oxygen of H_2O is involved in a secondary interaction forming C-H-O hydrogen bond with the ring hydrogen ortho to the acetylenic group[2].
1. Arunan et al.Current Science,82(2002)533.
2. TA04,63rd International Symposium on Molecular Spectroscopy,Columbus, June 16-20, 2008.

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