Interconversions between oxalic acid monoamide rotamers: Photochemical process versus tunneling

Autor:	Günther Maier, Hans Peter Reisenauer, Jörg Endres
Rok vydání:	2012
Předmět:	Chemistry Organic Chemistry Oxalic acid Infrared spectroscopy Photochemistry Analytical Chemistry Inorganic Chemistry Matrix (chemical analysis) chemistry.chemical_compound Computational chemistry Irradiation Conformational isomerism Spectroscopy Quantum tunnelling
Zdroj:	Journal of Molecular Structure. 1025:2-5
ISSN:	0022-2860
Popis:	UV irradiation converts matrix isolated (E,E)-oxalic acid monoamide (4) to its energetically less favorable (E,Z)-rotamer 5. The back-reaction 5 → 4 seems to be governed by [H]tunneling. Matrix IR spectroscopy in combination with density functional computations is the method of choice to identify the bridged and unbridged rotamers 4 and 5.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::bccc2e6b7c8c2abda6e44c83a0073765 https://doi.org/10.1016/j.molstruc.2012.04.042 Zobrazit plný text záznamu Full Text from ScienceDirect