IR Photodissociation Spectroscopy of H7+, H9+, and Their Deuterated Analogues

Autor:	Michael A. Duncan, T. C. Cheng, Justin W. Young, B. Bandyopadhyay
Rok vydání:	2013
Předmět:	Deuterium Chemistry Photodissociation Far-infrared laser Cluster (physics) Analytical chemistry Supersonic speed Physical and Theoretical Chemistry Spectroscopy Molecular beam Ion
Zdroj:	The Journal of Physical Chemistry A. 117:6984-6990
ISSN:	1520-5215 1089-5639
DOI:	10.1021/jp312630x
Popis:	Cluster ions of H7(+)/D7(+) and H9(+)/D9(+) produced in a supersonic molecular beam with a pulsed discharge source are mass selected and studied with infrared laser photodissociation spectroscopy. Photodissociation occurs by the loss of H2 (D2) from each cluster, producing resonances in the 2000-4500 cm(-1) region. Vibrational patterns indicate that these ions consist of an H3(+) (D3(+)) core ion solvated by H2 (D2) molecules. There is no evidence for the shared proton structure seen previously for H5(+). The H3(+) ion core vibrational bands are weakened and broadened significantly, presumably by enhanced rates of intramolecular vibrational relaxation. Computational studies at the DFT/B3LYP or MP2 levels of theory (including scaling) are adequate to reproduce qualitative details of the vibrational spectra, but neither provides quantitative agreement with vibrational frequencies.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_dedup___::bcb8b6016836c3fa7ab1c1371ee85c3b https://doi.org/10.1021/jp312630x Zobrazit plný text záznamu