| ROTATIONAL SPECTRA AND STRUCTURE OF PHENYLACETYLENE-WATER COMPLEX (2008) | |||||||||
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| Author Institution: Department of Inorganic and Physical Chemistry; Indian Institute of Science, Bangalore 560012, India. Rotational Spectra of phenylacetylene-water complex and its $HDO$ and $D_2O$ isotopomers have been measured. The spectra resemble an asymmetric top with $\kappa=-0.73$ for the parent isotopomer. Both `$a$' and `$b$' dipole transitions have been observed. All the transitions are split into two resulting from a possible internal rotation of $H_2O$ in the complex. The measured rotational constants are $A = 2672.0931(31) MHz$, $B = 996.3581(8) MHz$, $C = 731.7056(4) MHz$ for the stronger series and $A = 2673.1331(44) MHz$, $B = 996.3926(10) MHz$, $C = 731.5737(6) MHz$ for the weaker series. Spectra for $HDO$ isotopomer agree with a structure where water is in the plane of phenylacetylene by donating one of its hydrogen to the acetylene $\pi$ cloud and the oxygen is involved in a secondary interaction forming C-H---O hydrogen bond with the ring hydrogen ortho to the acetylenic group. The experiments for $D_2O$ isotopomer are in progress. The structure agrees with the one proposed from Fluorescence Dip Infrared Spectroscopy studies [1]. \bigskip 1. G. N. Patwari and co-workers, \it{Private Communication.} | |||||||||
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