RT Journal Article
T1 Theoretical (DFT) and experimental (Raman and FTIR) spectroscopic study on communic acids, main components of fossil resins
A1 Rodríguez Montoro, Óscar
A1 Tortajada Pérez, José
A1 Lobato Fernández, Álvaro
A1 García Baonza, Valentín
A1 Taravillo Corralo, Mercedes
AB The objective of this work is to establish a spectral assignment of several communic acids. The most significant vibrational modes of three stereoisomers of communic acids [trans-, cis-, and iso- (or mirceo-)] are presented. They are showed throughout experimental Raman and IR spectra, and on the basis on calculations with Density Functional Theory (DFT) and the assignment of the spectral bands of different resins found in the literature. These three communic acids studied are the most important isomers present in the scaffold of the fossil resins Class I, as monomers or co-polymerized according to several authors. These kinds of terpenes are used as starting material, for example, for the synthesis of the fungicide and compounds bioactives. In a novel way, it is reported jointly the assignment of the experimental Infrared and Raman modes together with theoretical modes, since normally the authors tend to focus on one or another spectroscopic technique only. These results can be used as a reference for distinguishing amber from less matured resins as copal, determining the local origin of archaeological fossilized resins. Moreover, they will serve as help to differentiate between real and imitation ambers.
PB Elsevier
SN 1386-1425
YR 2019
FD 2019
LK https://hdl.handle.net/20.500.14352/92522
UL https://hdl.handle.net/20.500.14352/92522
LA eng
NO Montoro, Oscar R., et al. «Theoretical (DFT) and Experimental (Raman and FTIR) Spectroscopic Study on Communic Acids, Main Components of Fossil Resins». Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, vol. 224, enero de 2020, p. 117405. https://doi.org/10.1016/j.saa.2019.117405.
NO Ministerio de Ciencia e Innovación (España)
DS Docta Complutense
RD 6 abr 2025