Issue 10, 2004
From the journal:

Physical Chemistry Chemical Physics

Intramolecular hydrogen bonds and conformational properties of biogenic amines: A free-jet microwave study of tyramine

Sonia Melandri*a  and  Assimo Marisa  

* Corresponding authors

a Dipartimento di Chimica “G. Ciamician”, via Selmi, 2, Bologna, Italy
E-mail: sonia.melandri@unibo.it; assimo.maris@unibo.it
Fax: +39 051 2099456
Tel: +39 051 2099502

Abstract

The conformational properties of tyramine, an important biologically active molecule, were studied by free jet microwave absorption spectroscopy aided by quantum chemical calculations. Structural assignments were made on the basis of ab initio predicted spectral properties calculated at the MP2/6-31G* level of theory in the minima found in the conformational hypersurface and four conformational species were detected in the jet expansion. The most stable conformers are the folded ones in which the amino hydrogen atoms interact with the aromatic π cloud showing that the conformational properties of tyramine are mainly determined by non-bonding interactions.

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Article information

DOI
https://doi.org/10.1039/B404153D
Article type
Paper
Submitted
18 Mar 2004
Accepted
18 Apr 2004
First published
29 Apr 2004

Phys. Chem. Chem. Phys., 2004,6, 2863-2866

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Intramolecular hydrogen bonds and conformational properties of biogenic amines: A free-jet microwave study of tyramine

S. Melandri and A. Maris, Phys. Chem. Chem. Phys., 2004, 6, 2863 DOI: 10.1039/B404153D

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