Electronic Structure and Chemical Bonding of the First-, Second-, and Third-Row-Transition-Metal Monoborides: The Formation of Quadruple Bonds in RhB, RuB, and TcB

Electronic Structure and Chemical Bonding of the First-, Second-, and Third-Row-Transition-Metal Monoborides: The Formation of Quadruple Bonds in RhB, RuB, and TcB

Boron presents an important role in chemistry, biology, and materials science. Diatomic transition-metal borides (MBs) are the building blocks of many complexes and materials, and they present unique electronic structures with interesting and peculiar properties and a variety of bonding schemes whic...

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Bibliographic Details
Main Authors: Constantinos Demetriou, Christina Eleftheria Tzeliou, Alexandros Androutsopoulos, Demeter Tzeli
Format: Article
Language:English
Published: MDPI AG 2023-12-01
Series:Molecules
Subjects:
calculations
DFT
transition metal
borides
ScB
TiB
Online Access:https://www.mdpi.com/1420-3049/28/24/8016

Internet

https://www.mdpi.com/1420-3049/28/24/8016

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