Сибирский федеральный университет

Тип публикации: статья из журнала

Год издания: 2020

Идентификатор DOI: 10.17516/1998-2836-0205

Ключевые слова: density functional method, topological analysis, vinylidene complexes, rhenium, platinum, iron., iron

Аннотация: Metal-metal and metal-ligand bonding in vinylidene ReFePt complex was studied by density functional method and topological analysis of electron density. Topological analysis did not found direct bonding between the metal atoms pointing to indirect metal-metal interaction mediated via the bridging vinylidene ligand. At the same time, the delocalization index delta(Fe,Pt) reveals the strong Fe-Pt interaction that allows for supposing a chemical bonding between these atoms. Metal-metal and metal-ligand bonding in vinylidene ReFePt complex was studied by density functional method and topological analysis of electron density. Topological analysis did not found direct bonding between the metal atoms pointing to indirect metal-metal interaction mediated via the bridging vinylidene ligand. At the same time, the delocalization index δ(Fe,Pt) reveals the strong Fe-Pt interaction that allows for supposing a chemical bonding between these atoms. © 2020 Siberian Federal University. All rights reserved.

Журнал: JOURNAL OF SIBERIAN FEDERAL UNIVERSITY-CHEMISTRY

Выпуск журнала: Vol. 13, Is. 4

Номера страниц: 553-564

ISSN журнала: 19982836

Место издания: KRASNOYARSK

Издатель: SIBERIAN FEDERAL UNIV

• Shor Aleksey M. (Inst Chem & Chem Technol SB RAS, FRC Krasnoyarsk Sci Ctr SB RAS, Krasnoyarsk, Russia)
• Laletina Svetlana S. (Inst Chem & Chem Technol SB RAS, FRC Krasnoyarsk Sci Ctr SB RAS, Krasnoyarsk, Russia)
• Rubaylo Anatoly (Inst Chem & Chem Technol SB RAS, FRC Krasnoyarsk Sci Ctr SB RAS, Krasnoyarsk, Russia; Siberian Fed Univ, Krasnoyarsk, Russia)
• Ivanova-Shor Elena A. (Inst Chem & Chem Technol SB RAS, FRC Krasnoyarsk Sci Ctr SB RAS, Krasnoyarsk, Russia)

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