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Updated: Jun 16, 2026

On-line Analysis of Nitrogen Containing Compounds in Complex Hydrocarbon Matrixes
Published on: August 5, 2016
Planar Pentacoordinate Nitrogen with Activated N─N Bond
Amit Das1, Palash J Thakuria1, Ankur K Guha1
1Advanced Computational Chemistry Centre, Cotton University, Panbazar, Guwahati, Assam, India.
None:
Structural preference for main group compounds has always fascinated chemists. Computational discoveries have challenged some of the tenets of main group chemistry. Herein, a planar pentacoordinate nitrogen atom is presented as the global minimum (GM) of Li4H3N2 - cluster featuring an activated N2 unit, that is, N═N double bonded unit. Detailed quantum chemical study reveals that the GM is stabilized through electrostatic and multicentre bonding feature. Electronic structure study using adaptive natural density partitioning (AdNDP), atoms in molecules (AIM), extended transition state coupled with natural orbital for chemical valence (ETS-NOCV) indicates strong electrostatic nature of N-Li interaction.
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