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Title: Non-covalent interactions of nitrous oxide with aromatic compounds: Spectroscopic and computational evidence for the formation of 1:1 complexes

We present the first study of intermolecular interactions between nitrous oxide (N{sub 2}O) 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 N{sub 2}O-AC complexes. Our results show that N{sub 2}O 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{sup −1}); however, the complexes are clearly detected by frequency shifts of the characteristic bands. These results suggest that N{sub 2}O can be bound to the amino-acid residues tyrosine or phenylalanine in the form of π complexes.
Authors:
 [1] ;  [2] ;  [3] ;  [4] ;  [1]
  1. Department of Chemistry, P.O. Box 55, University of Helsinki, Helsinki FI-00014 (Finland)
  2. (China)
  3. Department of Civil and Environmental Engineering, Princeton University, Princeton, New Jersey 08544 (United States)
  4. Department of Chemistry and Chemical Biology, Rutgers, The State University of New Jersey, New Brunswick, New Jersey 08903 (United States)
Publication Date:
OSTI Identifier:
22254944
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 140; Journal Issue: 14; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; ACTINIUM COMPLEXES; CRESOLS; DISPERSIONS; INTERACTIONS; NITROUS OXIDE; PHENOL; PHENYLALANINE; RESIDUES; SPECTRA; SPECTROSCOPY; TOLUENE; TYROSINE