Biologically Relevant Molecules Studied in Low Temperature Inert Matrices

Fausto, Rui; Kuş, Nihal

doi:10.1007/978-94-007-7832-0_7

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2014

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“…18 We also performed high-level quantum chemical calculations of these complexes. Although there have been a number of matrixisolation studies of intermolecular complexes with ACs, [19][20][21][22] the N 2 O-AC complexes have not been studied in matrices to date.…”

Section: Introductionmentioning

confidence: 99%

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

Cao

Gor

Krogh‐Jespersen

et al. 2014

The Journal of Chemical Physics

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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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