Spectroscopic and theoretical investigation of the conformational space of a pyrazolo-thiazole precursor of extended dipole diazafulvenium methide intermediates

CM Nunes, S Lopes, TMVDP e Melo…

Index: Nunes, Claudio M.; Lopes, Susy; Pinho e Melo, Teresa M.V.D.; Fausto, Rui Journal of Molecular Structure, 2009 , vol. 921, # 1-3 p. 101 - 108

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Abstract

The structure, preferred conformers and vibrational spectra of the pyrazolo-thiazole precursor of extended dipole diazafulvenium methide intermediates, dimethyl 2, 2-dioxo-1H, 3H-pyrazolo [1, 5-c][1, 3] thiazole-6, 7-dicarboxylate (DPTD) were investigated in low- temperature noble gas matrices (Ar, Xe), low temperature neat amorphous and crystalline phases and in KBr pellet (crystal and melted phases) by infrared spectroscopy, supported ...