10min:
ROTATIONAL SPECTRUM AND STRUCTURE OF VAN DER WAALS COMPLEXES: (CH3)2O cdotsCF2=CH2 AND (CH3)2O cdotsCF2=CHF.

YOSHIO TATAMITANI, YASUFUMI SUZUKI, TERUHIKO OGATA, Department of Chemistry,
Faculty of Science, Shizuoka University, Shizuoka, Japan 422-8529.

The microwave spectra of van der Waals complexes of dimethy ether(DME) dimer and dimethy ether cdotsAr have been studied. Following these investigations, the complexes of dimethyl ether and 1,2-difluoroethane(DFE)/ trifluoroethene(TFE) (CH3)2O cdotsCF2=CH2 and (CH3)2O cdotsCF2=CHF have been observed using a Fourie transform microwave spectrometer from 5 to 19 GHz. The samples of 1% DME/DME-d6 and DFE/TFE in Ar were used to form the complexes in a super sonic expansion. For normal DME cdotsDFE, 37 a-type transitions were assigned and 87 a- and b-type transitions were assigned for normal DME cdotsTFE. Rotational and centrifugal distortion constants have been determined for these complexes of normal and -d6 species, leading to molecular structures. Both complexes were found to be Cs symmetry and bound with triple hydrogen bonds: One is the strong O cdotsHC type and two are the weaker CH cdotsF type. The structures of both complexes are similar, however, the hydrogen bond lengths and bond angles are different. Ab initio MO calculations of MP2/6-311+G(d,p) lebel have been made for these complexes, the structure obtained supported the experimental results and the bonding energies for these complexes were compared.