Unusual effect of carborane ligands on the electronic properties of d0-metal complexes


Citar

Texto integral

Acesso aberto Acesso aberto
Acesso é fechado Acesso está concedido
Acesso é fechado Somente assinantes

Resumo

Modern quantum-chemical and photophysical methods have been used to study the structure of the frontier molecular orbitals and the nature of ligand-to-metal charge transfer (LMCT) transitions of structurally complex d0-metallocenes. It has been shown that such metal complexes with carboranyl ligands have emissive LMCT states with preferential charge transfer from aromatic π-ligands to the metal and a large electric dipole moment. The electronic excitation and absorption spectra were simulated for the first time, and dipole moments of metal complexes containing metal–carbon σ- and π-bonds were estimated, which is of fundamental importance for the development of molecular photonics.

Sobre autores

G. Loukova

Institute of Problems of Chemical Physics

Autor responsável pela correspondência
Email: gloukova@mail.ru
Rússia, Chernogolovka, Moscow oblast, 142432

A. Milov

Southern Scientific Center

Email: gloukova@mail.ru
Rússia, Rostov-on-Don, 344006

V. Vasiliev

Institute of Problems of Chemical Physics

Email: gloukova@mail.ru
Rússia, Chernogolovka, Moscow oblast, 142432

Arquivos suplementares

Arquivos suplementares
Ação
1. JATS XML

Declaração de direitos autorais © Pleiades Publishing, Ltd., 2017