Planar Tetracoordinate Hydrogen: Pushing the Limit of Multicentre Bonding

Among the list of planar tetracoordinate atoms, the smallest element hydrogen is missing. No experimental and theoretical evidence have ever been put forwarded. Herein, we introduce the first planar tetracoordinate hydrogen atom (ptH) in the global minimum geometry of In4H+ cluster. Bonding analysis...

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Bibliographic Details
Published inAngewandte Chemie International Edition Vol. 63; no. 3; pp. e202317312 - n/a
Main Authors Kalita, Amlan J., Rohman, Shahnaz S., Sahu, Prem P., Guha, Ankur Kanti
Format Journal Article
LanguageEnglish
Published Germany Wiley Subscription Services, Inc 15.01.2024
EditionInternational ed. in English
Subjects
Aromaticity
Bonding
Charge transfer
Global Minimum
Hydrogen
Hydrogen atoms
Multicentre Bonding
Planar Tetracoordination
Global Minimum
Planar Tetracoordination
Aromaticity
Hydrogen
Multicentre Bonding
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Summary:Among the list of planar tetracoordinate atoms, the smallest element hydrogen is missing. No experimental and theoretical evidence have ever been put forwarded. Herein, we introduce the first planar tetracoordinate hydrogen atom (ptH) in the global minimum geometry of In4H+ cluster. Bonding analysis indicates that the central hydrogen atom is acting like a proton and significant charge transfer from the surrounding In4 framework results in a negative charge of the central hydrogen atom. The proposed global minimum geometry possesses σ‐aromaticity and the central hydrogen atom forms unusual multicentre bond with more than three centres. Planar tetracoordinate hydrogen atom has been predicted for the first time in the global minimum D4h geometry of In4H+ cluster.
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ISSN:1433-7851
1521-3773
DOI:10.1002/anie.202317312