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Bulletin of the Korean Chemical Society (BKCS)

ISSN 0253-2964(Print)
ISSN 1229-5949(Online)
Volume 30, Number 4
BKCSDE 30(4)
April 20, 2009 

Variation in IR and Raman Spectra of CD3CN upon Solvation of InCl3 in CD3CN:
Distinctive Blue Shifts, Coordination Number,
Donor-Acceptor Interaction, and Solvated Species
Jun Sung Cho, Han Gook Cho*
Acetonitrile-d, InCl3, Coordination, Frequency shift, Solvation number
Notable blue shifts of the ν2 C≡N stretching, ν4 C-C stretching and ν8 CCN deformation bands of CD3CN are observed upon solvation of InCl3, resulting from the donor-acceptor interaction. The Raman spectrum in the ν2 region shows further details; at least two new bands emerge on the blue side of the ν2 band of free CD3CN, whose relative intensities vary with concentration, suggesting that there exist at least two different cationic species in the solution. The strong hydrogen bonds formed between the methyl group and InCl4 ? result in a large band appearing on the red side of the ν1 CD3 symmetric stretching band. The solvation number of InCl3, determined from the Raman intensities of the C≡N stretching bands for free and coordinated CD3CN, increases from ~1.5 to ~1.8 with decreasing concentration.
803 - 809
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