Synthesis, characterisation and electrochemical properties of Cr(0) aminocarbene complexes containing condensed heteroaromatic moiety

0538096 - ÚFCH JH 2021 RIV CH eng J - Článek v odborném periodiku
Guricová, M. - Tobrman, T. - Pižl, Martin - Žižková, S. - Hoskovcová, I. - Dvořák, D.
Synthesis, characterisation and electrochemical properties of Cr(0) aminocarbene complexes containing condensed heteroaromatic moiety.
Journal of Organometallic Chemistry. Roč. 905, JAN 2020 (2020), č. článku 121023. ISSN 0022-328X. E-ISSN 1872-8561
Institucionální podpora: RVO:61388955
Klíčová slova: fischer carbene complexes * electronic-properties * dotz benzannulation * chromium * photochemistry * reduction * existence * route * iron
Obor OECD: Electrochemistry (dry cells, batteries, fuel cells, corrosion metals, electrolysis)
Impakt faktor: 2.369, rok: 2020
Způsob publikování: Omezený přístup

The series of new aminocarbene complexes of chromium(0) containing condensed benzoheteroaromatic substituents (N-methylindol-2-yl (1), N-methylindol-3-yl (1a), benzofuran-2-yl (2) and benzothien-2-yl (3)) were synthesised and fully characterised. The crystal structure of 3 was elucidated from single-crystal x-ray diffraction. Cyclic voltammetry was used to determine oxidation and the reduction properties of the synthesised compounds. The experimental results were compared with quantum chemical calculations performed with the density functional theory. The results show similar trends as other five-membered heterocyclic carbenes published previously. The first oxidation potentials are, in decreasing order, 2, 3 and 1. The oxidation potential of 1a is approximately 100 mV lower than that of 1. The reduction proceeds easily for 2 and 3 with close reduction potential values (-1.62 V and1.63 V). On the other hand, the reduction of 1 and 1a is more difficult (-1.92 V and2.07 V). (C) 2019 Elsevier B.V. All rights reserved.
Trvalý link: http://hdl.handle.net/11104/0315910