Photo-and Electroluminescent Neutral Iridium(III) Complexes Bearing Imidoylamidinate Ligands

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Photo-and Electroluminescent Neutral Iridium(III) Complexes Bearing Imidoylamidinate Ligands. / Katlenok, Eugene A.; Rozhkov, Anton V.; Ramazanov, Ruslan R.; Valiev, Rashid R.; Levin, Oleg V.; Goryachiy, Dmitrii O.; Taydakov, Ilya V.; Kuznetsov, Maxim L.; Kukushkin, Vadim Yu.

In: Inorganic Chemistry, Vol. 61, No. 23, 13.06.2022, p. 8670–8684.

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

Author

Katlenok, Eugene A. ; Rozhkov, Anton V. ; Ramazanov, Ruslan R. ; Valiev, Rashid R. ; Levin, Oleg V. ; Goryachiy, Dmitrii O. ; Taydakov, Ilya V. ; Kuznetsov, Maxim L. ; Kukushkin, Vadim Yu. / Photo-and Electroluminescent Neutral Iridium(III) Complexes Bearing Imidoylamidinate Ligands. In: Inorganic Chemistry. 2022 ; Vol. 61, No. 23. pp. 8670–8684.

BibTeX

@article{c2440f6521d84b118d7aa860b6365b8d,

title = "Photo-and Electroluminescent Neutral Iridium(III) Complexes Bearing Imidoylamidinate Ligands",

abstract = "Imidoylamidinate-based heteroleptic bis(2-phenylbenzothiazole)iridium(III) and-rhodium(III) complexes [(bt)2M(NN)] (bt = 2-phenylbenzothiazole, NN = N′-(benzo[d]thiazol-2-yl)acetimidamidyl (Ir1 and Rh1), N′-(6-fluorobenzo[d]thiazol-2-yl)acetimidamidyl (Ir2), N′-(benzo[d]oxazol-2-yl)acetimidamidyl (Ir3), N′-(1-methyl-1H-benzo[d]imidazol-2-yl)acetimidamidyl (Ir4); yields 70-84%) were obtained by the reaction of the in situ-generated solvento-complex [(bt)2M(NCMe)2]NO3 and benzo[d]thia/oxa/N-methylimidozol-2-amines in the presence of NaOMe. Complexes Ir1-4 exhibited intense orange photoluminescence, reaching 37% at room temperature quantum yields, being immobilized in a poly(methyl methacrylate) matrix. A photophysical study of these species in a CH2Cl2 solution, neat powder, and frozen (77 K) MeOC2H4OH-EtOH glass matrix-along with density-functional theory (DFT), ab initio methods, and spin-orbit coupling time-dependent DFT calculations-verified the effects of substitution in the imidoylamidinate ligands on the excited-state properties. Electrochemical (cyclic voltammetry and differential pulse voltammetry) and theoretical DFT studies demonstrated noninnocent behavior of the imidoylamidinate ligands in Ir1-4 and Rh1 complexes due to the significant contribution coming from these ligands in the HOMO of the complexes. The iridium(III) species exhibit a ligand (L, 2-phenylbenzothiazole)-centered (3LC), metal-to-ligand (L′, imidoylamidinate) charge-transfer (3ML′CT,3MLCT) character of their emission. The imidoylamidinate-based iridium(III) species were proved to be effective as the emissive dopant in an organic light-emitting diode device, fabricated in the framework of this study. ",

author = "Katlenok, {Eugene A.} and Rozhkov, {Anton V.} and Ramazanov, {Ruslan R.} and Valiev, {Rashid R.} and Levin, {Oleg V.} and Goryachiy, {Dmitrii O.} and Taydakov, {Ilya V.} and Kuznetsov, {Maxim L.} and Kukushkin, {Vadim Yu}",

note = "Publisher Copyright: {\textcopyright} 2022 American Chemical Society.",

year = "2022",

month = jun,

day = "13",

doi = "10.1021/acs.inorgchem.2c00321",

language = "English",

volume = "61",

pages = "8670–8684",

journal = "Inorganic Chemistry",

issn = "0020-1669",

publisher = "American Chemical Society",

number = "23",

}

RIS

TY - JOUR

T1 - Photo-and Electroluminescent Neutral Iridium(III) Complexes Bearing Imidoylamidinate Ligands

AU - Katlenok, Eugene A.

AU - Rozhkov, Anton V.

AU - Ramazanov, Ruslan R.

AU - Valiev, Rashid R.

AU - Levin, Oleg V.

AU - Goryachiy, Dmitrii O.

AU - Taydakov, Ilya V.

AU - Kuznetsov, Maxim L.

AU - Kukushkin, Vadim Yu

PY - 2022/6/13

Y1 - 2022/6/13

N2 - Imidoylamidinate-based heteroleptic bis(2-phenylbenzothiazole)iridium(III) and-rhodium(III) complexes [(bt)2M(NN)] (bt = 2-phenylbenzothiazole, NN = N′-(benzo[d]thiazol-2-yl)acetimidamidyl (Ir1 and Rh1), N′-(6-fluorobenzo[d]thiazol-2-yl)acetimidamidyl (Ir2), N′-(benzo[d]oxazol-2-yl)acetimidamidyl (Ir3), N′-(1-methyl-1H-benzo[d]imidazol-2-yl)acetimidamidyl (Ir4); yields 70-84%) were obtained by the reaction of the in situ-generated solvento-complex [(bt)2M(NCMe)2]NO3 and benzo[d]thia/oxa/N-methylimidozol-2-amines in the presence of NaOMe. Complexes Ir1-4 exhibited intense orange photoluminescence, reaching 37% at room temperature quantum yields, being immobilized in a poly(methyl methacrylate) matrix. A photophysical study of these species in a CH2Cl2 solution, neat powder, and frozen (77 K) MeOC2H4OH-EtOH glass matrix-along with density-functional theory (DFT), ab initio methods, and spin-orbit coupling time-dependent DFT calculations-verified the effects of substitution in the imidoylamidinate ligands on the excited-state properties. Electrochemical (cyclic voltammetry and differential pulse voltammetry) and theoretical DFT studies demonstrated noninnocent behavior of the imidoylamidinate ligands in Ir1-4 and Rh1 complexes due to the significant contribution coming from these ligands in the HOMO of the complexes. The iridium(III) species exhibit a ligand (L, 2-phenylbenzothiazole)-centered (3LC), metal-to-ligand (L′, imidoylamidinate) charge-transfer (3ML′CT,3MLCT) character of their emission. The imidoylamidinate-based iridium(III) species were proved to be effective as the emissive dopant in an organic light-emitting diode device, fabricated in the framework of this study.

AB - Imidoylamidinate-based heteroleptic bis(2-phenylbenzothiazole)iridium(III) and-rhodium(III) complexes [(bt)2M(NN)] (bt = 2-phenylbenzothiazole, NN = N′-(benzo[d]thiazol-2-yl)acetimidamidyl (Ir1 and Rh1), N′-(6-fluorobenzo[d]thiazol-2-yl)acetimidamidyl (Ir2), N′-(benzo[d]oxazol-2-yl)acetimidamidyl (Ir3), N′-(1-methyl-1H-benzo[d]imidazol-2-yl)acetimidamidyl (Ir4); yields 70-84%) were obtained by the reaction of the in situ-generated solvento-complex [(bt)2M(NCMe)2]NO3 and benzo[d]thia/oxa/N-methylimidozol-2-amines in the presence of NaOMe. Complexes Ir1-4 exhibited intense orange photoluminescence, reaching 37% at room temperature quantum yields, being immobilized in a poly(methyl methacrylate) matrix. A photophysical study of these species in a CH2Cl2 solution, neat powder, and frozen (77 K) MeOC2H4OH-EtOH glass matrix-along with density-functional theory (DFT), ab initio methods, and spin-orbit coupling time-dependent DFT calculations-verified the effects of substitution in the imidoylamidinate ligands on the excited-state properties. Electrochemical (cyclic voltammetry and differential pulse voltammetry) and theoretical DFT studies demonstrated noninnocent behavior of the imidoylamidinate ligands in Ir1-4 and Rh1 complexes due to the significant contribution coming from these ligands in the HOMO of the complexes. The iridium(III) species exhibit a ligand (L, 2-phenylbenzothiazole)-centered (3LC), metal-to-ligand (L′, imidoylamidinate) charge-transfer (3ML′CT,3MLCT) character of their emission. The imidoylamidinate-based iridium(III) species were proved to be effective as the emissive dopant in an organic light-emitting diode device, fabricated in the framework of this study.

UR - http://www.scopus.com/inward/record.url?scp=85131902882&partnerID=8YFLogxK

UR - https://www.mendeley.com/catalogue/16b003b3-9157-36a7-9453-966bfd08df81/

U2 - 10.1021/acs.inorgchem.2c00321

DO - 10.1021/acs.inorgchem.2c00321

M3 - Article

C2 - 35650511

AN - SCOPUS:85131902882

VL - 61

SP - 8670

EP - 8684

JO - Inorganic Chemistry

JF - Inorganic Chemistry

SN - 0020-1669

IS - 23

ER -

ID: 96946555