Iridium(III) and Platinum(II) complexes with metallated and chelating benzothiazole derivatives: Structural, optical, and electrochemical properties

E.A. Katlenok, A.A. Zolotarev, K.P. Balashev

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6 Citations (Scopus)

Abstract

The structures of the Ir(III) and Pt(II) complexes with metallated 2-phenylbenzothiazole (Bt) and chelating 2-(2-hydroxo)phenylbenzothiazole (Hbt) in the crystalline state and in a CDCl3 solution are studied by X-ray diffraction analysis and H-1 NMR spectroscopy. The structures of the complexes are shown to be cis-C,C-[Ir(Bt)(2)(HBt)] (I) and trans-N,N-[Pt(Bt)(HBt)] (II) (CIF files CCDC 996857 (I) and 995845 (II)). Based on the results of absorption and emission electron spectroscopy, the highest occupied and lowest unoccupied molecular orbitals (HOMO and LUMO) determining the character of long-wavelength optical bands and electrochemical processes are assigned to the orbitals predominantly localized on the {Ir(Bt)} fragment for complex I, whereas for complex II the LUMO is localized on {Pt(Bt)} and the HOMO is localized on the {Pt(HBt)} fragment.
Original languageEnglish
Pages (from-to)37-42
JournalRussian Journal of Coordination Chemistry
Volume41
Issue number1
DOIs
Publication statusPublished - 2015

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Iridium
Electron spectroscopy
Emission spectroscopy
Molecular orbitals
Chelation
Platinum
Electrochemical properties
X ray diffraction analysis
Nuclear magnetic resonance spectroscopy
Structural properties
Optical properties
Crystalline materials
Derivatives
Wavelength
2-phenylbenzothiazole
benzothiazole

Cite this

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title = "Iridium(III) and Platinum(II) complexes with metallated and chelating benzothiazole derivatives: Structural, optical, and electrochemical properties",
abstract = "The structures of the Ir(III) and Pt(II) complexes with metallated 2-phenylbenzothiazole (Bt) and chelating 2-(2-hydroxo)phenylbenzothiazole (Hbt) in the crystalline state and in a CDCl3 solution are studied by X-ray diffraction analysis and H-1 NMR spectroscopy. The structures of the complexes are shown to be cis-C,C-[Ir(Bt)(2)(HBt)] (I) and trans-N,N-[Pt(Bt)(HBt)] (II) (CIF files CCDC 996857 (I) and 995845 (II)). Based on the results of absorption and emission electron spectroscopy, the highest occupied and lowest unoccupied molecular orbitals (HOMO and LUMO) determining the character of long-wavelength optical bands and electrochemical processes are assigned to the orbitals predominantly localized on the {Ir(Bt)} fragment for complex I, whereas for complex II the LUMO is localized on {Pt(Bt)} and the HOMO is localized on the {Pt(HBt)} fragment.",
author = "E.A. Katlenok and A.A. Zolotarev and K.P. Balashev",
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journal = "Russian Journal of Coordination Chemistry",
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TY - JOUR

T1 - Iridium(III) and Platinum(II) complexes with metallated and chelating benzothiazole derivatives: Structural, optical, and electrochemical properties

AU - Katlenok, E.A.

AU - Zolotarev, A.A.

AU - Balashev, K.P.

PY - 2015

Y1 - 2015

N2 - The structures of the Ir(III) and Pt(II) complexes with metallated 2-phenylbenzothiazole (Bt) and chelating 2-(2-hydroxo)phenylbenzothiazole (Hbt) in the crystalline state and in a CDCl3 solution are studied by X-ray diffraction analysis and H-1 NMR spectroscopy. The structures of the complexes are shown to be cis-C,C-[Ir(Bt)(2)(HBt)] (I) and trans-N,N-[Pt(Bt)(HBt)] (II) (CIF files CCDC 996857 (I) and 995845 (II)). Based on the results of absorption and emission electron spectroscopy, the highest occupied and lowest unoccupied molecular orbitals (HOMO and LUMO) determining the character of long-wavelength optical bands and electrochemical processes are assigned to the orbitals predominantly localized on the {Ir(Bt)} fragment for complex I, whereas for complex II the LUMO is localized on {Pt(Bt)} and the HOMO is localized on the {Pt(HBt)} fragment.

AB - The structures of the Ir(III) and Pt(II) complexes with metallated 2-phenylbenzothiazole (Bt) and chelating 2-(2-hydroxo)phenylbenzothiazole (Hbt) in the crystalline state and in a CDCl3 solution are studied by X-ray diffraction analysis and H-1 NMR spectroscopy. The structures of the complexes are shown to be cis-C,C-[Ir(Bt)(2)(HBt)] (I) and trans-N,N-[Pt(Bt)(HBt)] (II) (CIF files CCDC 996857 (I) and 995845 (II)). Based on the results of absorption and emission electron spectroscopy, the highest occupied and lowest unoccupied molecular orbitals (HOMO and LUMO) determining the character of long-wavelength optical bands and electrochemical processes are assigned to the orbitals predominantly localized on the {Ir(Bt)} fragment for complex I, whereas for complex II the LUMO is localized on {Pt(Bt)} and the HOMO is localized on the {Pt(HBt)} fragment.

U2 - 10.1134/S1070328415010042

DO - 10.1134/S1070328415010042

M3 - Article

VL - 41

SP - 37

EP - 42

JO - Russian Journal of Coordination Chemistry

JF - Russian Journal of Coordination Chemistry

SN - 1070-3284

IS - 1

ER -