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- Title
Pushing The Extreme of Multicentre Bonding: Planar Pentacoordinate Hydride.
- Authors
Sarmah, Kangkan; Kalita, Amlan J.; Purkayastha, Siddhartha K.; Guha, Ankur K.
- Abstract
Planar hypercoordination has sparkled interest among the researchers from last few decades. Most of the elements in the Periodic Table have shown this remarkable structural feature. However, the smallest element, hydrogen, is missing in the list. No evidence is there in the literature. Herein, we introduce the first planar pentacoordinate hydrogen atom (ppH) in the global minimum geometry of Li5H6− cluster. Bonding analysis indicates that the central hydrogen atom is stabilized by multicentre bonding with five surrounding Li atoms. Natural charge analysis reveals that the central hydrogen is acting like a hydride which is strongly attracted by the positively charged surrounding lithium centres. The ppH structure is stabilized by strong electrostatic attraction as well as extensive multicentre bonding. Aromaticity has no role to play here. The cluster is dynamically stable and is expected to be detected in gas phase.
- Subjects
PERIODIC table of the elements; HYDROGEN atom; HYDRIDES; RESEARCH personnel
- Publication
Angewandte Chemie, 2024, Vol 136, Issue 13, p1
- ISSN
0044-8249
- Publication type
Article
- DOI
10.1002/ange.202318741