Tunneling lifetime of the ttc/VIp conformer of glycine in low-temperature matrices

J Phys Chem A. 2012 Nov 1;116(43):10539-47. doi: 10.1021/jp3076436. Epub 2012 Oct 23.

Abstract

Conformer ttc/VIp of glycine and glycine-N,N,O-d(3) has been prepared in low-temperature Ar, Kr, Xe, and N(2) matrices by near-infrared (NIR) laser irradiation of the first OH stretching overtone of conformer ttt/Ip. Glycine (and glycine-N,N,O-d(3)) ttc/VIp was found to convert back to ttt/Ip in the dark by hydrogen-atom tunneling. The observed half-lives of ttc/VIp in Ar, Kr, and Xe matrices at 12 K were 4.4 ± 1 s (50.0 ± 1 h), 4.0 ± 1 s (48.0 ± 1 h), and 2.8 ± 1 s (99.3 ± 2 h), respectively. In correspondence with the observation for the cis-to-trans conversion of formic and acetic acid, the tunneling half-life of glycine ttc/VIp in a N(2) matrix is more than 3 orders of magnitude longer (6.69 × 10(3) and 1.38 × 10(4) s for two different sites) than in noble gas matrices due to complex formation with the host molecules. The present results are important to understand the lack of experimental observation of some computationally predicted conformers of glycine and other amino acids.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Acetic Acid / chemistry
  • Cold Temperature
  • Formates / chemistry
  • Glycine / analogs & derivatives*
  • Half-Life
  • Isomerism
  • Lasers, Excimer
  • Lasers, Gas
  • Protons*
  • Spectroscopy, Near-Infrared

Substances

  • Formates
  • Protons
  • formic acid
  • Acetic Acid
  • Glycine