Zobrazeno 1 - 5
of 5
pro vyhledávání: '"and Antonio C. Borin"'
Publikováno v:
Repositório Institucional da USP (Biblioteca Digital da Produção Intelectual)
Universidade de São Paulo (USP)
instacron:USP
Universidade de São Paulo (USP)
instacron:USP
TDDFT and XMS-CASPT2 methods were applied to simulate the vibronic and resonance Raman (RR) spectra of a push–pull model system, 4-nitroaniline (pNA) and its anion ([pNA]−), within the Independent Mode Displaced Harmonic Oscillator (IMDHO) model.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::096a9b43e15d5a0c4538521e3a71fb63
Publikováno v:
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy. 173
The distinct thermochromism observed in solutions containing N,N-dimethylaniline (DMA) and N,N-diethylaniline (DEA) and SO
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::e3874801b66be6df1a5fde79b9f03ba6
https://pubmed.ncbi.nlm.nih.gov/27716583
https://pubmed.ncbi.nlm.nih.gov/27716583
Autor:
Rômulo A. Ando, Fernando Fernández-Lázaro, and Antonio C. Borin, Paulo Sérgio da Silva Santos, Gianluca Camillo Azzellini, José L. Rodríguez-Redondo, Ángela Sastre-Santos
Publikováno v:
The Journal of Physical Chemistry A. 111:13452-13456
The deprotonation of the push-pull molecule 4-hydroxy-4'-nitroazobenzene leads to a substantial variation in the charge distribution over the donor and acceptor moieties in the D-pi-azo-pi-A system. The extra charge stabilizes the excited state, lead
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e34529eb32f349ba3d7fea463629da69
https://doi.org/10.1021/jp077034e
https://doi.org/10.1021/jp077034e
Publikováno v:
The Journal of Physical Chemistry A. 111:7194-7199
The electronic (UV-vis) and resonance Raman (RR) spectra of the anionic species derived from 4-nitrophenol (pNP) and 4-nitroaniline (pNA) are reported. The interpretation of the electronic transitions in the visible, near-UV region was supported by q
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e2e8448a50f3c8cf5f4d858f7b1b292f
https://doi.org/10.1021/jp072097i
https://doi.org/10.1021/jp072097i
Publikováno v:
Journal of Physical Chemistry A; Apr2008, Vol. 112 Issue 19, p4437-4443, 7p