Mononuclear Copper(I) 3-(2-pyridyl)pyrazole Complexes: The Crucial Role of Phosphine on Photoluminescence

A series of emissive Cu(I) cationic complexes with 3-(2-pyridyl)-5-phenyl-pyrazole and various phosphines: dppbz (1), Xantphos (2), DPEPhos (3), PPh3 (4), and BINAP (5) were designed...

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Autores principales:	Kristina F. Baranova, Aleksei A. Titov, Alexander F. Smol’yakov, Andrey Yu. Chernyadyev, Oleg A. Filippov, Elena S. Shubina
Formato:	article
Lenguaje:	EN
Publicado:	MDPI AG 2021
Materias:	copper(I) pyrazolate pyrazole-pyridine TD-DFT photoluminescence volume buried Organic chemistry QD241-441
Acceso en línea:	https://doaj.org/article/eb0297f168004644a35b1d24b1a9d1d4
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spelling	oai:doaj.org-article:eb0297f168004644a35b1d24b1a9d1d42021-11-25T18:27:58ZMononuclear Copper(I) 3-(2-pyridyl)pyrazole Complexes: The Crucial Role of Phosphine on Photoluminescence10.3390/molecules262268691420-3049https://doaj.org/article/eb0297f168004644a35b1d24b1a9d1d42021-11-01T00:00:00Zhttps://www.mdpi.com/1420-3049/26/22/6869https://doaj.org/toc/1420-3049A series of emissive Cu(I) cationic complexes with 3-(2-pyridyl)-5-phenyl-pyrazole and various phosphines: dppbz (<b>1</b>), Xantphos (<b>2</b>), DPEPhos (<b>3</b>), PPh<sub>3</sub> (<b>4</b>), and BINAP (<b>5</b>) were designed and characterized. Complexes obtained exhibit bright yellow-green emission (ca. 520–650 nm) in the solid state with a wide range of QYs (1–78%) and lifetimes (19–119 µs) at 298 K. The photoluminescence efficiency dramatically depends on the phosphine ligand type. The theoretical calculations of buried volumes and excited states explained the emission behavior for <b>1</b>–<b>5</b> as well as their lifetimes. The bulky and rigid phosphines promote emission efficiency through the stabilization of singlet and triplet excited states.Kristina F. BaranovaAleksei A. TitovAlexander F. Smol’yakovAndrey Yu. ChernyadyevOleg A. FilippovElena S. ShubinaMDPI AGarticlecopper(I)pyrazolatepyrazole-pyridineTD-DFTphotoluminescencevolume buriedOrganic chemistryQD241-441ENMolecules, Vol 26, Iss 6869, p 6869 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	copper(I) pyrazolate pyrazole-pyridine TD-DFT photoluminescence volume buried Organic chemistry QD241-441
spellingShingle	copper(I) pyrazolate pyrazole-pyridine TD-DFT photoluminescence volume buried Organic chemistry QD241-441 Kristina F. Baranova Aleksei A. Titov Alexander F. Smol’yakov Andrey Yu. Chernyadyev Oleg A. Filippov Elena S. Shubina Mononuclear Copper(I) 3-(2-pyridyl)pyrazole Complexes: The Crucial Role of Phosphine on Photoluminescence
description	A series of emissive Cu(I) cationic complexes with 3-(2-pyridyl)-5-phenyl-pyrazole and various phosphines: dppbz (<b>1</b>), Xantphos (<b>2</b>), DPEPhos (<b>3</b>), PPh<sub>3</sub> (<b>4</b>), and BINAP (<b>5</b>) were designed and characterized. Complexes obtained exhibit bright yellow-green emission (ca. 520–650 nm) in the solid state with a wide range of QYs (1–78%) and lifetimes (19–119 µs) at 298 K. The photoluminescence efficiency dramatically depends on the phosphine ligand type. The theoretical calculations of buried volumes and excited states explained the emission behavior for <b>1</b>–<b>5</b> as well as their lifetimes. The bulky and rigid phosphines promote emission efficiency through the stabilization of singlet and triplet excited states.
format	article
author	Kristina F. Baranova Aleksei A. Titov Alexander F. Smol’yakov Andrey Yu. Chernyadyev Oleg A. Filippov Elena S. Shubina
author_facet	Kristina F. Baranova Aleksei A. Titov Alexander F. Smol’yakov Andrey Yu. Chernyadyev Oleg A. Filippov Elena S. Shubina
author_sort	Kristina F. Baranova
title	Mononuclear Copper(I) 3-(2-pyridyl)pyrazole Complexes: The Crucial Role of Phosphine on Photoluminescence
title_short	Mononuclear Copper(I) 3-(2-pyridyl)pyrazole Complexes: The Crucial Role of Phosphine on Photoluminescence
title_full	Mononuclear Copper(I) 3-(2-pyridyl)pyrazole Complexes: The Crucial Role of Phosphine on Photoluminescence
title_fullStr	Mononuclear Copper(I) 3-(2-pyridyl)pyrazole Complexes: The Crucial Role of Phosphine on Photoluminescence
title_full_unstemmed	Mononuclear Copper(I) 3-(2-pyridyl)pyrazole Complexes: The Crucial Role of Phosphine on Photoluminescence
title_sort	mononuclear copper(i) 3-(2-pyridyl)pyrazole complexes: the crucial role of phosphine on photoluminescence
publisher	MDPI AG
publishDate	2021
url	https://doaj.org/article/eb0297f168004644a35b1d24b1a9d1d4
work_keys_str_mv	AT kristinafbaranova mononuclearcopperi32pyridylpyrazolecomplexesthecrucialroleofphosphineonphotoluminescence AT alekseiatitov mononuclearcopperi32pyridylpyrazolecomplexesthecrucialroleofphosphineonphotoluminescence AT alexanderfsmolyakov mononuclearcopperi32pyridylpyrazolecomplexesthecrucialroleofphosphineonphotoluminescence AT andreyyuchernyadyev mononuclearcopperi32pyridylpyrazolecomplexesthecrucialroleofphosphineonphotoluminescence AT olegafilippov mononuclearcopperi32pyridylpyrazolecomplexesthecrucialroleofphosphineonphotoluminescence AT elenasshubina mononuclearcopperi32pyridylpyrazolecomplexesthecrucialroleofphosphineonphotoluminescence
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Mononuclear Copper(I) 3-(2-pyridyl)pyrazole Complexes: The Crucial Role of Phosphine on Photoluminescence

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