Matrix isolation FTIR spectroscopic and theoretical study of methyl lactate

Methyl lactate [CH(CH3)OHC(=O)OCH3] conformational space was investigated by extensive DFT/B3LYP/6-311++G(d,p) and MP2/6-31++G(d,p) calculations and matrix-isolation FTIR spectroscopy in argon and xenon matrices. From the seven different conformers predicted by the calculations, two forms (the most...

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Detalhes bibliográficos
Autor principal: Borba, Ana (author)
Outros Autores: Gómez-Zavaglia, Andrea (author), Lapinski, Leszek (author), Fausto, R. (author)
Formato: article
Idioma:eng
Publicado em: 2004
Assuntos:
Methyl lactate
Conformational analysis
Matrix isolation
FTIR spectroscopy
DFT(B3LYP) and MP2 calculations
Texto completo:http://hdl.handle.net/10316/5124
País:Portugal
Oai:oai:estudogeral.sib.uc.pt:10316/5124

Texto Completo

http://hdl.handle.net/10316/5124

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