Chemical Physics Letters, Vol.357, No.3-4, 209-216, 2002
Structures of CH3F center dot center dot center dot CH3F and CH3F center dot center dot center dot H2O complexes in a supersonic jet studied by matrix-isolation infrared spectroscopy and density-functional-theory calculation
The CH3F...CH3F and CH3F...H2O complexes produced by supersonic-jet expansion have been deposited on a cold plate using a standard matrix-isolation technique. By comparing the infrared spectra measured with an FTIR spectrophotometer with the results of DFT calculations, the structure of CH3F...CH3F is estimated to be anti-parallel, while that of CH3F...H2O has a bent C-F...H-O intermolecular hydrogen bonding. The difference in the structure of CH3F dimer from that of CH3I dimer is explained in terms of the dipole-dipole interaction of two methyl halide molecules and the dispersion force of halogen atoms. (C) 2002 Elsevier Science B.V. All rights reserved.