Table of Contents
ISRN Physical Chemistry
Volume 2012, Article ID 243741, 11 pages
http://dx.doi.org/10.5402/2012/243741
Research Article

Combined FTIR Matrix Isolation and Density Functional Studies of Indole-3-Pyruvic Acid Molecule. Spectroscopic Evidence of Gas-Phase Tautomerism

1Dipartimento di Chimica, Università di Roma “La Sapienza”, Piazzale Aldo Moro 5, 00185 Roma, Italy
2Istituto di Cristallografia (IC), Sezione Roma, Area Della Ricerca, Via Salaria Km 29,300, Montelibretti, 00016 Monterotondo, Italy
3Consorzio Interuniversitario per le Applicazioni di Supercalcolo per Università e Ricerca (CASPUR), via dei Tizii 6, 00185 Roma, Italy
4Istituto per lo Studio dei Materiali Nanostrutturati (ISMN) Sezione, Dipartimento di Chimica, Università di Roma “La Sapienza”, Pizzalo Alido Moro 5, 00185 Roma, Italy

Received 12 January 2012; Accepted 13 February 2012

Academic Editors: T. Kar, A. Liwo, and T. Yamaguchi

Copyright © 2012 Luigi Bencivenni et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

Abstract

The vibrational spectrum of matrix-isolated indole-3-pyruvic acid has been studied aiming to obtain information about the structures of the stable vapour-phase forms of the molecule. Together with results from theoretical density functional calculations, the spectroscopic data enable to undertake an attribution for most of the observed bands. The FTIR spectrum of crystalline indole-3-pyruvic acid has been compared with that of matrix isolation study.