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Photoinduced Tautomerisation of ESIPT-Capable Iridium(III) Complexes with Rationally Designed Acyclic Diaminocarbene Ligands. / Skripnyak, P.O.; Kashina, M.V.; Eremina, A.A.; Tatarin, S.V.; Bezzubov, S.I.; Luzyanin, K.V.; Kinzhalov, M.A.

In: Inorganic Chemistry, Vol. 65, No. 3, 26.01.2026, p. 1793-1800.

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Skripnyak, P.O. ; Kashina, M.V. ; Eremina, A.A. ; Tatarin, S.V. ; Bezzubov, S.I. ; Luzyanin, K.V. ; Kinzhalov, M.A. / Photoinduced Tautomerisation of ESIPT-Capable Iridium(III) Complexes with Rationally Designed Acyclic Diaminocarbene Ligands. In: Inorganic Chemistry. 2026 ; Vol. 65, No. 3. pp. 1793-1800.

BibTeX

@article{747997015f38456ab4df8ce6e6e3dd29,
title = "Photoinduced Tautomerisation of ESIPT-Capable Iridium(III) Complexes with Rationally Designed Acyclic Diaminocarbene Ligands",
abstract = "A series of ESIPT-capable IrIII-(acyclic diaminocarbene species) (ESIPT = Excited-state intramolecular proton transfer) exhibiting strong photoluminescence properties is described. The emission profile is strongly influenced by the nature of the azaheterocyclic fragment in the diaminocarbene ligand: pyrazine-derived species display phosphorescence bands red-shifted by approximately 100 nm compared to their pyridine analogues. This redshift is attributed to the luminescence of tautomerized species formed via an ESIPT process, wherein the iridium center enhances the basicity of the pyrazine ring, facilitating proton transfer from the Ccarbene–NH groups. This interpretation is supported by the solvatochromic emission behavior of complexes prepared and corroborated by density functional theory calculations. Prepared IrIII-(acyclic diaminocarbene species) complexes represent the first example of metal–organic luminophores in which the ESIPT mechanism involves direct participation of the metal center, resulting in orange emission. {\textcopyright} 2026 The Authors. Published by American Chemical Society",
keywords = "Density functional theory, Iridium, Iridium compounds, Proton transfer, Acyclic diaminocarbenes, American Chemical Society, Derived species, Diaminocarbenes, Emission profile, Excited-state intramolecular proton transfer, Photo-induced, Photoluminescence properties, Pyrazines, Tautomerizations, Ligands, iridium, ligand, pyrazine, pyridine, article, controlled study, density functional theory, drug development, drug toxicity, luminescence, nonhuman, phosphorescence, photoluminescence, proton transport, tautomerization",
author = "P.O. Skripnyak and M.V. Kashina and A.A. Eremina and S.V. Tatarin and S.I. Bezzubov and K.V. Luzyanin and M.A. Kinzhalov",
note = "Export Date: 07 February 2026; Cited By: 0; Correspondence Address: K.V. Luzyanin; Department of Chemistry, University of Liverpool, Liverpool, Crown Street, L69 7ZD, United Kingdom; email: konstantin.luzyanin@liverpool.ac.uk; M.A. Kinzhalov; St Petersburg State University, Saint Petersburg, 7-9 Universitetskaya Nab, 199034, Russian Federation; email: m.kinzhalov@spbu.ru; CODEN: INOCA",
year = "2026",
month = jan,
day = "26",
doi = "10.1021/acs.inorgchem.5c04206",
language = "Английский",
volume = "65",
pages = "1793--1800",
journal = "Inorganic Chemistry",
issn = "0020-1669",
publisher = "American Chemical Society",
number = "3",

}

RIS

TY - JOUR

T1 - Photoinduced Tautomerisation of ESIPT-Capable Iridium(III) Complexes with Rationally Designed Acyclic Diaminocarbene Ligands

AU - Skripnyak, P.O.

AU - Kashina, M.V.

AU - Eremina, A.A.

AU - Tatarin, S.V.

AU - Bezzubov, S.I.

AU - Luzyanin, K.V.

AU - Kinzhalov, M.A.

N1 - Export Date: 07 February 2026; Cited By: 0; Correspondence Address: K.V. Luzyanin; Department of Chemistry, University of Liverpool, Liverpool, Crown Street, L69 7ZD, United Kingdom; email: konstantin.luzyanin@liverpool.ac.uk; M.A. Kinzhalov; St Petersburg State University, Saint Petersburg, 7-9 Universitetskaya Nab, 199034, Russian Federation; email: m.kinzhalov@spbu.ru; CODEN: INOCA

PY - 2026/1/26

Y1 - 2026/1/26

N2 - A series of ESIPT-capable IrIII-(acyclic diaminocarbene species) (ESIPT = Excited-state intramolecular proton transfer) exhibiting strong photoluminescence properties is described. The emission profile is strongly influenced by the nature of the azaheterocyclic fragment in the diaminocarbene ligand: pyrazine-derived species display phosphorescence bands red-shifted by approximately 100 nm compared to their pyridine analogues. This redshift is attributed to the luminescence of tautomerized species formed via an ESIPT process, wherein the iridium center enhances the basicity of the pyrazine ring, facilitating proton transfer from the Ccarbene–NH groups. This interpretation is supported by the solvatochromic emission behavior of complexes prepared and corroborated by density functional theory calculations. Prepared IrIII-(acyclic diaminocarbene species) complexes represent the first example of metal–organic luminophores in which the ESIPT mechanism involves direct participation of the metal center, resulting in orange emission. © 2026 The Authors. Published by American Chemical Society

AB - A series of ESIPT-capable IrIII-(acyclic diaminocarbene species) (ESIPT = Excited-state intramolecular proton transfer) exhibiting strong photoluminescence properties is described. The emission profile is strongly influenced by the nature of the azaheterocyclic fragment in the diaminocarbene ligand: pyrazine-derived species display phosphorescence bands red-shifted by approximately 100 nm compared to their pyridine analogues. This redshift is attributed to the luminescence of tautomerized species formed via an ESIPT process, wherein the iridium center enhances the basicity of the pyrazine ring, facilitating proton transfer from the Ccarbene–NH groups. This interpretation is supported by the solvatochromic emission behavior of complexes prepared and corroborated by density functional theory calculations. Prepared IrIII-(acyclic diaminocarbene species) complexes represent the first example of metal–organic luminophores in which the ESIPT mechanism involves direct participation of the metal center, resulting in orange emission. © 2026 The Authors. Published by American Chemical Society

KW - Density functional theory

KW - Iridium

KW - Iridium compounds

KW - Proton transfer

KW - Acyclic diaminocarbenes

KW - American Chemical Society

KW - Derived species

KW - Diaminocarbenes

KW - Emission profile

KW - Excited-state intramolecular proton transfer

KW - Photo-induced

KW - Photoluminescence properties

KW - Pyrazines

KW - Tautomerizations

KW - Ligands

KW - iridium

KW - ligand

KW - pyrazine

KW - pyridine

KW - article

KW - controlled study

KW - density functional theory

KW - drug development

KW - drug toxicity

KW - luminescence

KW - nonhuman

KW - phosphorescence

KW - photoluminescence

KW - proton transport

KW - tautomerization

UR - https://www.mendeley.com/catalogue/604f32e1-729a-3c76-96e3-3708840d3cba/

U2 - 10.1021/acs.inorgchem.5c04206

DO - 10.1021/acs.inorgchem.5c04206

M3 - статья

C2 - 41528120

VL - 65

SP - 1793

EP - 1800

JO - Inorganic Chemistry

JF - Inorganic Chemistry

SN - 0020-1669

IS - 3

ER -

ID: 148436623