Folding of the Hydrogen Bond Network of H+(CH3OH)7 with Rare Gas Tagging

Autor:	Hamashima, Toru, Li, Ying-Cheng, Wu, Michael C. H., Mizuse, Kenta, Kobayashi, Tomohiro, Fujii, Asuka, Kuo, Jer-Lai
Rok vydání:	2012
Předmět:	Hydrogen bond Chemistry Infrared spectroscopy Protonation Crystallography Computational chemistry Physics::Atomic and Molecular Clusters Cluster (physics) Density functional theory Physics::Chemical Physics Physical and Theoretical Chemistry Spectroscopy Isomerization Electron ionization
Zdroj:	The Journal of Physical Chemistry A. 117:101-107
ISSN:	1520-5215 1089-5639
DOI:	10.1021/jp3114545
Popis:	A number of isomer structures can be formed in hydrogen-bonded clusters, reflecting the essential variety of structural motifs of hydrogen bond networks. Control of isomer distribution of a cluster is important not only in practical use for isomer-specific spectroscopy but also in understanding of isomerization processes of hydrogen bond networks. Protonated methanol clusters have relatively simple networks and they are model systems suitable to investigate isomer distribution changes. In this paper, isomer distribution of H(+)(CH(3)OH)(7) is studied by size-selective infrared spectroscopy in the OH and CH stretching vibrational region and density functional theory calculations. While the clusters produced by a supersonic jet expansion combined with electron ionization were predominantly isomers having open hydrogen bond networks such as a linear chain, the Ar or Ne attachment (so-called rare gas tagging) entirely switches the isomer structures to compactly folded ones, which are composed only of closed multiple rings. The origin of the isomer switching is discussed in terms of thermal effects and specific isomer preference.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4b66bfc69e43c02d56e69a17ff8e31c4 https://doi.org/10.1021/jp3114545 Zobrazit plný text záznamu