Cooperativity in Alcohol-Nitrogen Complexes: Understanding Cryomatrices through Slit Jet Expansions

Cooperativity in Alcohol-Nitrogen Complexes: Understanding Cryomatrices through Slit Jet Expansions
Oswald, S.; Wallrabe, M. & Suhm, M. A.  (2017) 
The Journal of Physical Chemistry. A, Molecules, spectroscopy, kinetics, environment & general theory121(18) pp. 3411-3422.​

Authors
Oswald, Soenke; Wallrabe, Mareike; Suhm, Martin A. 
Issue Date
2017
Type
Journal Article
Publisher
Amer Chemical Soc
Journal
The Journal of Physical Chemistry. A, Molecules, spectroscopy, kinetics, environment & general theory 
Organization
Institut für Physikalische Chemie 
ISSN
1089-5639
Abstract
FTIR spectroscopy of supersonic expansions is used to characterize alcohol dimets with one, two, and several nitrogen molecules attached to them.The nitrogen coating causes progressive spectral downshifts of the OH stretching fondamentals which are related to and explain matrix isolation shifts. Comparison Of methanol, tert-butyl alcohol and ethanol as well as deuteratfon of methanol assist in the assignment. Alcohol monomers and trimers are significantly more resistant to nitrogen coating due to a lack of coopetativity and,dangling bonds respectively. In the case of ethanol, the role of conformational isomerism and combination bands is further elucidated. The exiaerimental findings help rationalize the anomalously small OH stretching,ditnetitatiort shift of methanol in the gas phase, in comparison to that of tert-butyl alcohol.
Publication of Göttingen University
Yes
Sponsor
Funder: DFG [SU 121/4]; FCI
acs%2Ejpca%2E7b01265.pdf1.88 MBAdobe PDFSupporting Info2.52 MBAdobe PDF

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