%0 Journal Article %1 WOS:000265634800012 %A Bento, R R F %A Freire, P T C %A Teixeira, A M R %A Silva, J H %A Jr., J A Lima %A de Oliveira, M C F %A Andrade-Neto, M %A Romero, N R %A Pontes, F M %C 233 SPRING ST, NEW YORK, NY 10013 USA %D 2009 %I SPRINGER %J BRAZILIAN JOURNAL OF PHYSICS %K hydrochloride} infrared modes; normal pilocarpine scattering; spectroscopy; {Raman %N 1 %P 62-68 %T Vibrational spectra of pilocarpine hydrochloride crystals %V 39 %X Pilocarpine is a natural substance with potential application in the treatment of several diseases. In this work Fourier Transform (FT)-Raman spectrum and the Fourier Transform infra red (FT-IR) spectrum of pilocarpine hydrochloride C11H17N2O2+ center dot Cl- were investigated at 300 K. Vibrational wavenumber and wave vector have been predicted using density functional theory (B3LYP) calculations with the 6-31 G(d,p) basis set. A comparison with experiment allowed us to assign most of the normal modes of the crystal.

@article{WOS:000265634800012, abstract = {Pilocarpine is a natural substance with potential application in the treatment of several diseases. In this work Fourier Transform (FT)-Raman spectrum and the Fourier Transform infra red (FT-IR) spectrum of pilocarpine hydrochloride C11H17N2O2+ center dot Cl- were investigated at 300 K. Vibrational wavenumber and wave vector have been predicted using density functional theory (B3LYP) calculations with the 6-31 G(d,p) basis set. A comparison with experiment allowed us to assign most of the normal modes of the crystal.}, added-at = {2022-05-23T20:00:14.000+0200}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, author = {Bento, R R F and Freire, P T C and Teixeira, A M R and Silva, J H and Jr., J A Lima and de Oliveira, M C F and Andrade-Neto, M and Romero, N R and Pontes, F M}, biburl = {https://www.bibsonomy.org/bibtex/2700f98a0b022b988d87b2f371d66f3ea/ppgfis_ufc_br}, interhash = {8e618e71f0ccd5de7f1637fac88f7601}, intrahash = {700f98a0b022b988d87b2f371d66f3ea}, issn = {0103-9733}, journal = {BRAZILIAN JOURNAL OF PHYSICS}, keywords = {hydrochloride} infrared modes; normal pilocarpine scattering; spectroscopy; {Raman}, number = 1, pages = {62-68}, publisher = {SPRINGER}, pubstate = {published}, timestamp = {2022-05-23T20:00:14.000+0200}, title = {Vibrational spectra of pilocarpine hydrochloride crystals}, tppubtype = {article}, volume = 39, year = 2009 }