Matrix isolation study of methyl propiolate in argon and nitrogen matrices

Methyl propiolate (HCtriple bondCCOOCH3, MP) isolated in argon and nitrogen matrices was experimentally studied by infrared spectroscopy and by quantum chemical calculations. The calculations, carried out at the DFT(B3LYP) and MP2 levels of theory, predict the existence of two conformers with a plan...

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Detalhes bibliográficos
Autor principal: Lopes, Susy (author)
Outros Autores: Nikitin, Timur (author), Rui Fausto (author)
Formato: article
Idioma:eng
Publicado em: 2020
Assuntos:
Texto completo:http://hdl.handle.net/10316/91159
País:Portugal
Oai:oai:estudogeral.sib.uc.pt:10316/91159