Theoretical and Experimental Vibrational Spectroscopic Investigation of Two R1R2-Diphenylsilyl-Containing Monomers and Their Optically Active Derivative Polymer

Gonzalez-Henriquez, CM; Terraza, CA; Sarabia M.

Abstract

FT-IR and Raman spectra of bis(4-aminophenyl)diphenylsilane (DIA) and a dicarboxylic acid containing the imide function and a L-alanine moiety (L-ALA) and their resultant polymer (PALA) were recorded in the 500-4000 cm(-1) and 400-3800 cm(-1) regions, respectively. The optically active poly(imide-amide) obtained has two sp(3) carbons in the main chain, favoring its flexibility. Raman analysis identifies the fluorescence produced by the electronic conjugation between the aromatic rings and the amidic groups, which affects the molecular fine structure. Thus, the theoretical study of the vibrational patterns has become a support and a complementary technique for the characterization of this fluorescent system. The optimized molecular geometry of the monomers and the polymeric unit using B3LYP and HF methods at the 6-31G(d) level of theory were used for the vibrational assignments. Thus, the small variations between the calculated and experimental vibration values could be related to possible intra- and/or intermolecular interactions or to the existence of a charge transfer phenomena between a donor or acceptor group within the system.

Más información

Título según WOS: Theoretical and Experimental Vibrational Spectroscopic Investigation of Two R1R2-Diphenylsilyl-Containing Monomers and Their Optically Active Derivative Polymer
Título de la Revista: JOURNAL OF PHYSICAL CHEMISTRY A
Volumen: 118
Número: 7
Editorial: AMER CHEMICAL SOC
Fecha de publicación: 2014
Página de inicio: 1175
Página final: 1184
Idioma: English
URL: http://pubs.acs.org/doi/abs/10.1021/jp409178j
DOI:

10.1021/jp409178j

Notas: ISI