A novel o-vanillin Fe(iii) complex catalytically active in C–H oxidation: exploring the magnetic exchange interactions and spectroscopic properties with different DFT functionals

Author:

Nesterova Oksana V.1ORCID,Vassilyeva Olga Yu.2ORCID,Skelton Brian W.3,Bieńko Alina4ORCID,Pombeiro Armando J. L.15ORCID,Nesterov Dmytro S.1ORCID

Affiliation:

1. Centro de Química Estrutural, Instituto Superior Técnico, Universidade de Lisboa, Av. Rovisco Pais, 1049-001 Lisboa, Portugal

2. Department of Chemistry, Taras Shevchenko National University of Kyiv, 64/13 Volodymyrska str., Kyiv 01601, Ukraine

3. School of Molecular Sciences, M310, University of Western Australia, Perth, WA 6009, Australia

4. Faculty of Chemistry, University of Wroclaw, F. Joliot-Curie 14, Wroclaw 50-383, Poland

5. Peoples’ Friendship University of Russia (RUDN University), Research Institute of Chemistry, 6 Miklukho-Maklaya st, Moscow 117198, Russia

Abstract

A new Fe(iii) coordination compound of o-vanillin acts as an efficient catalyst for alkane oxidation and features long-range exchange coupling between metal centres.

Funder

Ministry of Education and Science of Ukraine

Fundação para a Ciência e a Tecnologia

RUDN University

Publisher

Royal Society of Chemistry (RSC)

Subject

Inorganic Chemistry

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