Research output: Contribution to journal › Article › peer-review
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.Research output: Contribution to journal › Article › peer-review
}
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