Nuclear quadrupole resonance of charge transfer complexes. Part 3.—A14N and35Cl n.q.r. study of the 1:1 complex of 3,5-dichloropyridine with iodine monochloride
- 1 January 1976
- journal article
- Published by Royal Society of Chemistry (RSC) in Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics
- Vol. 72, 1964-1969
- https://doi.org/10.1039/f29767201964
Abstract
The infrared, Raman and n.q.r. (14N and 35Cl) spectra of the 1:1 molecular complex of 3,5-dichloropyridine with iodine monochloride are reported. All three 14N transition frequencies were obtained at 77 K using a double resonance technique. The resulting 14N coupling constant and asymmetry parameter are 2.257 MHz and 0.208 respectively. The vibrational and 35Cl n.q.r. spectra indicate that the degree of charge transfer in this compound is almost the same as in the corresponding pyridine and 4-methylpyridine complexes. The 14N results are interpreted in terms of a model in which charge is transferred from the nitrogen lone pair orbital to the halogen molecule. The degree of charge transfer indicated by the 14N and halogen n.q.r. results are in good agreement.Keywords
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