Quick Search:

uzh logo
Browse by:
bullet
bullet
bullet
bullet

Zurich Open Repository and Archive 

Permanent URL to this publication: http://dx.doi.org/10.5167/uzh-25012

Andresen, E R; Gremaud, R; Borgschulte, A; Ramirez-Cuesta, A J; Züttel, A; Hamm, P (2009). Vibrational dynamics of LiBH4 by infrared pump−probe and 2D spectroscopy. Journal of Physical Chemistry. A, 113 (46):12838-12846.

[img]Accepted Version
PDF - Registered users only
1603Kb

Abstract

Employing femtosecond IR pump−probe and 2D spectroscopy, we measure the vibrational dynamics of LiBH4 and several of its deuterium isotopomers. We find that the vibrational lifetime of various BH and BD stretching modes uniformly is ≈1.5 ps for all BH4−xDx− units (0 ≤ x ≤ 4). Subsequently, vibrational energy cascades down through BH and BD bending, facilitated by a strong Fermi resonance, into external (librational and translational) modes with a 3 ps time constant. Final thermalization of the energy is completed in about 100 ps. The vibrational spectra are purely homogeneously broadened indicating low inhomogeneity due to static disorder. We furthermore measured the anharmonic constants of various modes, which sets the benchmark for future ab initio calculations, and completed the first FTIR assignment of the stretching vibrations for the five BH4−xDx− units.

Item Type:Journal Article, refereed, original work
Communities & Collections:07 Faculty of Science > Institute of Physical Chemistry
DDC:540 Chemistry
Language:English
Date:09 October 2009
Deposited On:24 Jan 2010 09:28
Last Modified:28 Nov 2013 01:54
Publisher:American Chemical Society
ISSN:1089-5639
Funders:Swiss National Science Foundation (SNF), Danish Natural Science Research Council
Publisher DOI:10.1021/jp907746z
Citations:Web of Science®. Times Cited: 20
Google Scholar™

Users (please log in): suggest update or correction for this item

Repository Staff Only: item control page