What is the nature of bonding in [Fe(CO)3(NO)]− and [Fe(CO)4]2−?
Sign Up to like & getrecommendations! Published in 2020 at "Theoretical Chemistry Accounts"
DOI: 10.1007/s00214-020-02639-3
Abstract: To shed new light on the electronic structure of [Fe(CO)3(NO)]¯ complex ion, DFT-based analysis of the nature of chemical bonding has been performed. For this purpose, the extended transition state energy decomposition analysis alongside the… read more here.
Keywords: state; nature bonding; chemistry; nature ... See more keywords
Insights from domain-averaged Fermi hole (DAFH) analysis and multicenter bond indices into the nature of Be(0) bonding
Sign Up to like & getrecommendations! Published in 2017 at "Structural Chemistry"
DOI: 10.1007/s11224-017-0914-2
Abstract: SummaryThe nature of the bonding interactions in the recently synthesized first stable neutral complex of so-called zero-valent beryllium (i.e. formally Be(0)) is investigated using the analysis of domain-averaged Fermi holes (DAFHs) and of multicenter bond… read more here.
Keywords: analysis; domain averaged; bond indices; nature bonding ... See more keywords
On the Nature of the Bonding in Coinage Metal Halides
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DOI: 10.3390/molecules27020490
Abstract: This article analyzes the nature of the chemical bond in coinage metal halides using high-level ab initio Valence Bond (VB) theory. It is shown that these bonds display a large Charge-Shift Bonding character, which is… read more here.
Keywords: bonding coinage; nature bonding; coinage metal; metal ... See more keywords