Standard

New heteroleptic iridium(III) nitro complexes derived from fac-[Ir(NO2)3(H2O)3]. / Topchiyan, Polina; Vasilchenko, Danila; Tkachev, Sergey et al.

In: Journal of Molecular Structure, Vol. 1182, 15.04.2019, p. 100-108.

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

Harvard

Topchiyan, P, Vasilchenko, D, Tkachev, S, Baidina, I, Korolkov, I, Sheven, D, Berdyugin, S & Korenev, S 2019, 'New heteroleptic iridium(III) nitro complexes derived from fac-[Ir(NO2)3(H2O)3]', Journal of Molecular Structure, vol. 1182, pp. 100-108. https://doi.org/10.1016/j.molstruc.2019.01.013

APA

Topchiyan, P., Vasilchenko, D., Tkachev, S., Baidina, I., Korolkov, I., Sheven, D., Berdyugin, S., & Korenev, S. (2019). New heteroleptic iridium(III) nitro complexes derived from fac-[Ir(NO2)3(H2O)3]. Journal of Molecular Structure, 1182, 100-108. https://doi.org/10.1016/j.molstruc.2019.01.013

Vancouver

Topchiyan P, Vasilchenko D, Tkachev S, Baidina I, Korolkov I, Sheven D et al. New heteroleptic iridium(III) nitro complexes derived from fac-[Ir(NO2)3(H2O)3]. Journal of Molecular Structure. 2019 Apr 15;1182:100-108. doi: 10.1016/j.molstruc.2019.01.013

Author

Topchiyan, Polina ; Vasilchenko, Danila ; Tkachev, Sergey et al. / New heteroleptic iridium(III) nitro complexes derived from fac-[Ir(NO2)3(H2O)3]. In: Journal of Molecular Structure. 2019 ; Vol. 1182. pp. 100-108.

BibTeX

@article{d3ec6d6366054f07b79541badc046e9c,
title = "New heteroleptic iridium(III) nitro complexes derived from fac-[Ir(NO2)3(H2O)3]",
abstract = "An aqueous solution of fac-[Ir(H2O)3(NO2)3] (1) was utilized as a starting material for preparation of the new heteroleptic iridium complex [Ir(H2O) (bpy) (NO2)3] (2). From alkaline solutions of 2, the salt Na [Ir(OH) (NO2)3 (bpy)]·2H2O was isolated and its structure was determined by X-ray structure analysis. Structures of new compounds 2 and 3 as well as the parent complex 1 was characterized using multinuclear magnetic resonance spectroscopy and mass spectrometry. The structures of parent fac-[Ir(H2O)3(NO2)3] and complexes 2 and 3 were probed by employing density functional theory (DFT) calculations.",
keywords = "Aquacomplexes, DFT, Iridium, Nitrocomplexes, NMR, X-ray structure, FORMIC-ACID, CP-ASTERISK, EFFECTIVE CORE POTENTIALS, MOLECULAR-ORBITAL METHODS, CRYSTAL-STRUCTURE, IMPLEMENTATION, SOLUBLE CARBONYL-COMPOUNDS, AMBIENT-TEMPERATURE, DEPENDENT TRANSFER HYDROGENATION, DENSITY",
author = "Polina Topchiyan and Danila Vasilchenko and Sergey Tkachev and Iraida Baidina and Ilya Korolkov and Dmitriy Sheven and Semen Berdyugin and Sergey Korenev",
note = "Publisher Copyright: {\textcopyright} 2019 Elsevier B.V.",
year = "2019",
month = apr,
day = "15",
doi = "10.1016/j.molstruc.2019.01.013",
language = "English",
volume = "1182",
pages = "100--108",
journal = "Journal of Molecular Structure",
issn = "0022-2860",
publisher = "Elsevier",

}

RIS

TY - JOUR

T1 - New heteroleptic iridium(III) nitro complexes derived from fac-[Ir(NO2)3(H2O)3]

AU - Topchiyan, Polina

AU - Vasilchenko, Danila

AU - Tkachev, Sergey

AU - Baidina, Iraida

AU - Korolkov, Ilya

AU - Sheven, Dmitriy

AU - Berdyugin, Semen

AU - Korenev, Sergey

N1 - Publisher Copyright: © 2019 Elsevier B.V.

PY - 2019/4/15

Y1 - 2019/4/15

N2 - An aqueous solution of fac-[Ir(H2O)3(NO2)3] (1) was utilized as a starting material for preparation of the new heteroleptic iridium complex [Ir(H2O) (bpy) (NO2)3] (2). From alkaline solutions of 2, the salt Na [Ir(OH) (NO2)3 (bpy)]·2H2O was isolated and its structure was determined by X-ray structure analysis. Structures of new compounds 2 and 3 as well as the parent complex 1 was characterized using multinuclear magnetic resonance spectroscopy and mass spectrometry. The structures of parent fac-[Ir(H2O)3(NO2)3] and complexes 2 and 3 were probed by employing density functional theory (DFT) calculations.

AB - An aqueous solution of fac-[Ir(H2O)3(NO2)3] (1) was utilized as a starting material for preparation of the new heteroleptic iridium complex [Ir(H2O) (bpy) (NO2)3] (2). From alkaline solutions of 2, the salt Na [Ir(OH) (NO2)3 (bpy)]·2H2O was isolated and its structure was determined by X-ray structure analysis. Structures of new compounds 2 and 3 as well as the parent complex 1 was characterized using multinuclear magnetic resonance spectroscopy and mass spectrometry. The structures of parent fac-[Ir(H2O)3(NO2)3] and complexes 2 and 3 were probed by employing density functional theory (DFT) calculations.

KW - Aquacomplexes

KW - DFT

KW - Iridium

KW - Nitrocomplexes

KW - NMR

KW - X-ray structure

KW - FORMIC-ACID

KW - CP-ASTERISK

KW - EFFECTIVE CORE POTENTIALS

KW - MOLECULAR-ORBITAL METHODS

KW - CRYSTAL-STRUCTURE

KW - IMPLEMENTATION

KW - SOLUBLE CARBONYL-COMPOUNDS

KW - AMBIENT-TEMPERATURE

KW - DEPENDENT TRANSFER HYDROGENATION

KW - DENSITY

UR - http://www.scopus.com/inward/record.url?scp=85060959958&partnerID=8YFLogxK

U2 - 10.1016/j.molstruc.2019.01.013

DO - 10.1016/j.molstruc.2019.01.013

M3 - Article

AN - SCOPUS:85060959958

VL - 1182

SP - 100

EP - 108

JO - Journal of Molecular Structure

JF - Journal of Molecular Structure

SN - 0022-2860

ER -

ID: 18488123