Dual Emission of a Novel (P,N) ReI Complex: A Computational and Experimental Study on [P,N-{(C6H5)2(C5H4N)P}Re(CO)3Br]

Nancy Pizarro, Mario Duque, Eduardo Chamorro, Santi Nonell, Jorge Manzur, Julio R. De la Fuente, Germán Günther, Marjorie Cepeda-Plaza, Andrés Vega

Resultado de la investigación: Article

14 Citas (Scopus)

Resumen

The spectroscopic, electrochemical, and photophysical properties of the new complex [P,N-{(C6H5)2(C5H4N)P}Re(CO)3Br] are reported. The UV-vis spectrum in dichloromethane shows an absorption maximum centered at 315 nm and a shoulder at 350 nm. These absorption bands have been characterized to have MLCT character. Excitation at both wavelengths (maximum and shoulder) leads to an emission band centered at 550 nm. Cyclic voltammetry experiments show two ill-defined irreversible oxidation waves around +1.50 and 1.80 V that are assigned to ReI/ReII and ReII/ReIII couples whereas an irreversible reduction signal centered at -1.80 V is likewise assigned to a ligand reduction process. These results support the proposal of the MLCT nature of the states implied by the emission of the complex. The luminescent decay fits to a biexponential function, where the lifetimes and emission quantum yields are dependent on the solvent polarity. DFT calculations suggest that dπ → π∗pyridine and dπ → π∗phenyl excited states may account for the existence of two decay lifetimes. (Graph Presented).

Idioma originalEnglish
Páginas (desde-hasta)3929-3935
Número de páginas7
PublicaciónJournal of Physical Chemistry A
Volumen119
N.º17
DOI
EstadoPublished - 30 abr 2015

Huella dactilar

Carbon Monoxide
shoulders
Methylene Chloride
Quantum yield
Excited states
Discrete Fourier transforms
Cyclic voltammetry
Absorption spectra
life (durability)
decay
Ligands
Wavelength
Oxidation
excitation
proposals
pyridines
polarity
absorption spectra
ligands
oxidation

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

Citar esto

@article{bc0de530fe6c4c019292a95efcbad69e,
title = "Dual Emission of a Novel (P,N) ReI Complex: A Computational and Experimental Study on [P,N-{(C6H5)2(C5H4N)P}Re(CO)3Br]",
abstract = "The spectroscopic, electrochemical, and photophysical properties of the new complex [P,N-{(C6H5)2(C5H4N)P}Re(CO)3Br] are reported. The UV-vis spectrum in dichloromethane shows an absorption maximum centered at 315 nm and a shoulder at 350 nm. These absorption bands have been characterized to have MLCT character. Excitation at both wavelengths (maximum and shoulder) leads to an emission band centered at 550 nm. Cyclic voltammetry experiments show two ill-defined irreversible oxidation waves around +1.50 and 1.80 V that are assigned to ReI/ReII and ReII/ReIII couples whereas an irreversible reduction signal centered at -1.80 V is likewise assigned to a ligand reduction process. These results support the proposal of the MLCT nature of the states implied by the emission of the complex. The luminescent decay fits to a biexponential function, where the lifetimes and emission quantum yields are dependent on the solvent polarity. DFT calculations suggest that dπ → π∗pyridine and dπ → π∗phenyl excited states may account for the existence of two decay lifetimes. (Graph Presented).",
author = "Nancy Pizarro and Mario Duque and Eduardo Chamorro and Santi Nonell and Jorge Manzur and {De la Fuente}, {Julio R.} and Germ{\'a}n G{\"u}nther and Marjorie Cepeda-Plaza and Andr{\'e}s Vega",
year = "2015",
month = "4",
day = "30",
doi = "10.1021/jp512614w",
language = "English",
volume = "119",
pages = "3929--3935",
journal = "Journal of Physical Chemistry A",
issn = "1089-5639",
publisher = "American Chemical Society",
number = "17",

}

Dual Emission of a Novel (P,N) ReI Complex : A Computational and Experimental Study on [P,N-{(C6H5)2(C5H4N)P}Re(CO)3Br]. / Pizarro, Nancy; Duque, Mario; Chamorro, Eduardo; Nonell, Santi; Manzur, Jorge; De la Fuente, Julio R.; Günther, Germán; Cepeda-Plaza, Marjorie; Vega, Andrés.

En: Journal of Physical Chemistry A, Vol. 119, N.º 17, 30.04.2015, p. 3929-3935.

Resultado de la investigación: Article

TY - JOUR

T1 - Dual Emission of a Novel (P,N) ReI Complex

T2 - A Computational and Experimental Study on [P,N-{(C6H5)2(C5H4N)P}Re(CO)3Br]

AU - Pizarro, Nancy

AU - Duque, Mario

AU - Chamorro, Eduardo

AU - Nonell, Santi

AU - Manzur, Jorge

AU - De la Fuente, Julio R.

AU - Günther, Germán

AU - Cepeda-Plaza, Marjorie

AU - Vega, Andrés

PY - 2015/4/30

Y1 - 2015/4/30

N2 - The spectroscopic, electrochemical, and photophysical properties of the new complex [P,N-{(C6H5)2(C5H4N)P}Re(CO)3Br] are reported. The UV-vis spectrum in dichloromethane shows an absorption maximum centered at 315 nm and a shoulder at 350 nm. These absorption bands have been characterized to have MLCT character. Excitation at both wavelengths (maximum and shoulder) leads to an emission band centered at 550 nm. Cyclic voltammetry experiments show two ill-defined irreversible oxidation waves around +1.50 and 1.80 V that are assigned to ReI/ReII and ReII/ReIII couples whereas an irreversible reduction signal centered at -1.80 V is likewise assigned to a ligand reduction process. These results support the proposal of the MLCT nature of the states implied by the emission of the complex. The luminescent decay fits to a biexponential function, where the lifetimes and emission quantum yields are dependent on the solvent polarity. DFT calculations suggest that dπ → π∗pyridine and dπ → π∗phenyl excited states may account for the existence of two decay lifetimes. (Graph Presented).

AB - The spectroscopic, electrochemical, and photophysical properties of the new complex [P,N-{(C6H5)2(C5H4N)P}Re(CO)3Br] are reported. The UV-vis spectrum in dichloromethane shows an absorption maximum centered at 315 nm and a shoulder at 350 nm. These absorption bands have been characterized to have MLCT character. Excitation at both wavelengths (maximum and shoulder) leads to an emission band centered at 550 nm. Cyclic voltammetry experiments show two ill-defined irreversible oxidation waves around +1.50 and 1.80 V that are assigned to ReI/ReII and ReII/ReIII couples whereas an irreversible reduction signal centered at -1.80 V is likewise assigned to a ligand reduction process. These results support the proposal of the MLCT nature of the states implied by the emission of the complex. The luminescent decay fits to a biexponential function, where the lifetimes and emission quantum yields are dependent on the solvent polarity. DFT calculations suggest that dπ → π∗pyridine and dπ → π∗phenyl excited states may account for the existence of two decay lifetimes. (Graph Presented).

UR - http://www.scopus.com/inward/record.url?scp=84929500802&partnerID=8YFLogxK

U2 - 10.1021/jp512614w

DO - 10.1021/jp512614w

M3 - Article

AN - SCOPUS:84929500802

VL - 119

SP - 3929

EP - 3935

JO - Journal of Physical Chemistry A

JF - Journal of Physical Chemistry A

SN - 1089-5639

IS - 17

ER -