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Planar tetracoordinate nitrogen in main-group cationic clusters | Synapse

March 13, 2026

Planar tetracoordinate nitrogen in main-group cationic clusters

Key Points

This research aims to identify new planar tetracoordinate nitrogen species in cationic clusters.
Conducted a systematic search for cationic clusters N(XE)4+
Utilized high-level calculations to analyze cluster stability
Assessed magnetic properties to evaluate aromatic characteristics
Discovered eight new planar-tetracoordinate-nitrogen species
Confirmed closed-shell minima through calculations
Found only local diatropicity, indicating non-aromatic behavior

Abstract

A systematic search over cationic clusters N(XE)4+ (X = B-Tl, E = O-Po) uncovers eight new planar-tetracoordinate-nitrogen species: N©(AlPo)4+, N©(GaE)4+ (E = Se-Po) and N©(InE)4+ (E = S-Po). High-level calculations confirm closed-shell minima, while magnetic criteria show only local diatropicity, ruling out global σ/π aromaticity.

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Cite This Study

Sacanamboy et al. (Thu,) studied this question.

synapsesocial.com/papers/69b3abc502a1e69014cccf06 https://doi.org/https://doi.org/10.1039/d5cp04736f

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