Synthesis and luminescent properties of copper(I) complexes with 3-pyridin-2-yl-5-(4-R-phenyl)-1H-1,2,4-triazoles View Full Text


Ontology type: schema:ScholarlyArticle     


Article Info

DATE

2017-04

AUTHORS

A. N. Gusev, V. F. Shul’gin, B. F. Minaev, G. V. Baryshnikov, V. A. Minaeva, A. T. Baryshnikova, M. A. Kiskin, I. L. Eremenko

ABSTRACT

A series of heteroligand copper(I) complexes with 3-pyridin-2-yl-5-(4-R-phenyl)-1H-1,2,4-triazoles (R = H, CH3, CH3O) and PPh3 of general composition CuIL(PPh3) have been synthesized and studied. The compounds have been characterized by elemental analysis, IR spectroscopy, and diffusion reflectance spectra. The structure of the complex with 3-pyridin-2-yl-5-phenyl-1H-1,2,4-triazole has been determined by single-crystal X-ray diffraction analysis. The complex is mononuclear and has a tetrahedral environment of the central atom. The compounds exhibit strong visible photoluminescence (λmax = 599–609 nm). Quantum-chemical calculations at the B3LYP/DGDZVP level have demonstrated that the short phosphorescence life-time of the CuIL(PPh3) compounds is caused by intensity transfer from the S0–S2 transition through spinorbit coupling induced by the rotation of the iodine 5p orbital upon the T1–S2 transition. More... »

PAGES

423-430

Identifiers

URI

http://scigraph.springernature.com/pub.10.1134/s0036023617040052

DOI

http://dx.doi.org/10.1134/s0036023617040052

DIMENSIONS

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41 schema:description A series of heteroligand copper(I) complexes with 3-pyridin-2-yl-5-(4-R-phenyl)-1H-1,2,4-triazoles (R = H, CH3, CH3O) and PPh3 of general composition CuIL(PPh3) have been synthesized and studied. The compounds have been characterized by elemental analysis, IR spectroscopy, and diffusion reflectance spectra. The structure of the complex with 3-pyridin-2-yl-5-phenyl-1H-1,2,4-triazole has been determined by single-crystal X-ray diffraction analysis. The complex is mononuclear and has a tetrahedral environment of the central atom. The compounds exhibit strong visible photoluminescence (λmax = 599–609 nm). Quantum-chemical calculations at the B3LYP/DGDZVP level have demonstrated that the short phosphorescence life-time of the CuIL(PPh3) compounds is caused by intensity transfer from the S0–S2 transition through spinorbit coupling induced by the rotation of the iodine 5p orbital upon the T1–S2 transition.
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