Infrared Matrix Isolation Studies and Ab Initio Calculations of Acetohydroxamic Acid

Sałdyka, M.; Mielke, Z.

Artykuł - szczegóły

Tytuł artykułu

Infrared Matrix Isolation Studies and Ab Initio Calculations of Acetohydroxamic Acid

Autorzy

Sałdyka M. , Mielke Z.

Identyfikatory

Warianty tytułu

Języki publikacji

Abstrakty

The infrared absorption spectra of acetohydroxamic acid (CH3CONHOH) and its deuterated analogue (CH3CONDOD) isolated in argon and nitrogen matrices have been recorded for the first time. The infrared spectra prove that this molecule exists as the keto tautomer with intramolecular hydrogen bond in solid argon and nitrogen. Theoretical studies of the structure and spectral characteristics of the acetohydroxamic acid molecule, carried out on both MP2 and B3LYP levels with the 6-311++G(2d,2p) basis set, are in accordance with the experimental data.

Słowa kluczowe

acetohydroxamic acid matrix isolation infrared spectra ab initio

Wydawca

Polskie Towarzystwo Chemiczne

Czasopismo

Polish Journal of Chemistry

Rocznik

2003

Tom

Vol. 77 / nr 11

Strony

1587--1598

Opis fizyczny

Bibliogr. 40 poz., rys.

Twórcy

autor

Sałdyka M.

Faculty of Chemistry, Wrocław University, Joliot-Curie 14, 50-383 Wrocław, Poland

autor

Mielke Z.

Faculty of Chemistry, Wrocław University, Joliot-Curie 14, 50-383 Wrocław, Poland

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Typ dokumentu

Bibliografia

Identyfikator YADDA

bwmeta1.element.baztech-article-BUJ1-0022-0023