Laser-Initiated Shuttling of a Water Molecule Between H-Bonding Sites
- 4 March 2005
- journal article
- other
- Published by American Association for the Advancement of Science (AAAS) in Science
- Vol. 307 (5714) , 1443-1446
- https://doi.org/10.1126/science.1106977
Abstract
The two-step laser excitation scheme of stimulated emission pumping (SEP) induces shifts of a single water molecule between two remote hydrogen bonding sites on trans -formanilide. This reaction can be initiated by selective excitation of either isomer (C O-bound or NH-bound) with different SEP excitation wavelengths. Energy ( E ) thresholds for isomerization in both directions have been measured [796 wave numbers ≤ E (C O→NH) ≤ 988 wave numbers and 750 wave numbers ≤ E (NH→C O) ≤ 988 wave numbers], and the energy difference D E between the C O-bound and NH-bound isomers was extracted (–238 wave numbers ≤ D E ≤ +192 wave numbers).Keywords
This publication has 38 references indexed in Scilit:
- Infrared-induced conformational isomerization and vibrational relaxation dynamics in melatonin and 5-methoxy-N-acetyl tryptophan methyl amideThe Journal of Chemical Physics, 2004
- Development and testing of a general amber force fieldJournal of Computational Chemistry, 2004
- Direct Measurement of Energy Thresholds to Conformational Isomerization in TryptamineScience, 2004
- The dynamics of conformational isomerization in flexible biomolecules. I. Hole-filling spectroscopy of N-acetyl tryptophan methyl amide and N-acetyl tryptophan amideThe Journal of Chemical Physics, 2004
- Conformational Dynamics in a Dipeptide After Single-Mode Vibrational ExcitationScience, 2002
- Hydration of a cationic amide group: a ZEKE spectroscopic study of trans-formanilide–H2OElectronic supplementary information (ESI) available: Ab initio CASSCF/cc-pVDZ geometry parameters of t-FA–H2ONH in the S0, S1 and D0 states (Table S1), CASSCF/cc-pVDZ charges of t-FA–H2ONH in the S0, S1 and D0 states (Table S2), CASSCF/cc-pVDZ harmonic frequencies for the S0, S1 and D0 of t-FA–H2ONH up to 1000 cm–1 (Table S3). See http://www.rsc.org/suppdata/cp/b2/b200125j/Physical Chemistry Chemical Physics, 2002
- Energetics of the Gas Phase Hydrates of trans-Formanilide: A Microscopic Approach to the Hydration Sites of the Peptide BondThe Journal of Physical Chemistry A, 2001
- Spectroscopy of Hydrogen-Bonded Formanilide Clusters in a Supersonic Jet: Solvation of a Model Trans AmideThe Journal of Physical Chemistry A, 2000
- Molecular and Supramolecular Structures ofN-Phenyl Formamide and its Hydrated ClustersThe Journal of Physical Chemistry A, 1999
- THE SPECTROSCOPY OF SOLVATION IN HYDROGEN-BONDED AROMATIC CLUSTERSAnnual Review of Physical Chemistry, 1996