Synthesis, Crystal Structure, DFT Studies and Optical/Electrochemical Properties of Two Novel Heteroleptic Copper(I) Complexes and Application in DSSC
Samuel Soto-Acosta,
José J. Campos-Gaxiola,
Edgar A. Reynoso-Soto,
Adriana Cruz-Enríquez,
Jesús Baldenebro-López,
Herbert Höpfl,
Juventino J. García,
Marcos Flores-Álamo,
Valentín Miranda-Soto,
Daniel Glossman-Mitnik
Affiliations
Samuel Soto-Acosta
Facultad de Ingeniería Mochis, Universidad Autónoma de Sinaloa, Fuente de Poseidón y Prol. A. Flores S/N, C.U., Los Mochis C.P. 81223, Mexico
José J. Campos-Gaxiola
Facultad de Ingeniería Mochis, Universidad Autónoma de Sinaloa, Fuente de Poseidón y Prol. A. Flores S/N, C.U., Los Mochis C.P. 81223, Mexico
Edgar A. Reynoso-Soto
Tecnológico Nacional de México, Instituto Tecnológico de Tijuana, Centro de Graduados e Investigación en Química, Apartado Postal 1166, Tijuana C.P. 22000, Mexico
Adriana Cruz-Enríquez
Facultad de Ingeniería Mochis, Universidad Autónoma de Sinaloa, Fuente de Poseidón y Prol. A. Flores S/N, C.U., Los Mochis C.P. 81223, Mexico
Jesús Baldenebro-López
Facultad de Ingeniería Mochis, Universidad Autónoma de Sinaloa, Fuente de Poseidón y Prol. A. Flores S/N, C.U., Los Mochis C.P. 81223, Mexico
Herbert Höpfl
Centro de Investigaciones Químicas, Instituto de Investigación en Ciencias Básicas y Aplicadas, Universidad Autónoma del Estado de Morelos, Av. Universidad 1001, Cuernavaca C.P. 62209, Mexico
Juventino J. García
Facultad de Química, Universidad Nacional Autónoma de México, Cto. Exterior S/N, C.U., Ciudad de México C.P. 04510, Mexico
Marcos Flores-Álamo
Facultad de Química, Universidad Nacional Autónoma de México, Cto. Exterior S/N, C.U., Ciudad de México C.P. 04510, Mexico
Valentín Miranda-Soto
Tecnológico Nacional de México, Instituto Tecnológico de Tijuana, Centro de Graduados e Investigación en Química, Apartado Postal 1166, Tijuana C.P. 22000, Mexico
Daniel Glossman-Mitnik
Centro de Investigación en Materiales Avanzados, S. C., Miguel de Cervantes 120, Complejo Industrial Chihuahua, Chihuahua 31136, Mexico
New copper(I) compounds of compositions [Cu(HL)(PPh3)2]·H2O (1) and [Cu(HL)POP]·CH2Cl2 (2), where HL = monoanion of pyridine-2,5-dicarboxylic acid, PPh3 = triphenylphosphine and POP = bis [2-(diphenylphosphine)phenyl]ether), are documented. The complexes were characterized by elemental analysis, spectroscopic techniques (IR, 1H/31P RMN and UV–VIS), cyclic voltammetry, and thermogravimetric analysis. Single-crystals for 1 and 2 enabled X-ray diffraction analysis, revealing distorted tetrahedral geometries for Cu(I) centers embedded in NOP2 environments. The crystal structures are stabilized by O−H∙∙∙O, C−H∙∙∙O, C−H∙∙∙π and π∙∙∙π interactions that were analyzed by inspection of the Hirshfeld surfaces and fingerprint plots. Compounds 1 and 2 show interesting optical/electrochemical properties, which were studied experimentally in solution by UV–Vis spectroscopy and cyclic voltammetry, as well as theoretically using Time-Dependent Density Functional Theory (TD-DFT). Additionally, in combination with the ruthenium complex N719, their efficiency as co-sensitizers in dye-sensitized solar cells (DSSCs) was assessed, showing good activity.
