Non-covalent interactions of nitrous oxide with aromatic compounds: spectroscopic and computational evidence for the
Qian Cao1, Gennady Y Gor2, Karsten Krogh-Jespersen3
1Department of Chemistry, P.O. Box 55, University of Helsinki, Helsinki FI-00014, Finland.
Abstract:
We present the first study of intermolecular interactions between nitrous oxide (N2O) and three representative aromatic compounds (ACs): phenol, cresol, and toluene. The infrared spectroscopic experiments were performed in a Ne matrix and were supported by high-level quantum chemical calculations. Comparisons of the calculated and experimental vibrational spectra provide direct identification and characterization of the 1:1 N2O-AC complexes. Our results show that N2O is capable of forming non-covalently bonded complexes with ACs. Complex formation is dominated by dispersion forces, and the interaction energies are relatively low (about -3 kcal mol(-1)); however, the complexes are clearly detected by frequency shifts of the characteristic bands. These results suggest that N2O can be bound to the amino-acid residues tyrosine or phenylalanine in the form of π complexes.
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