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Direct Observation of Cyclo ‐Pentazolate Anion Decomposition in a Tailored Molecular Trap
Author(s) -
Zhang Jinjin,
Tang Mingjie,
Yang Siyuan,
Li Hongqing,
Cheng Guangbin,
Tang Yongxing,
Liu Ming
Publication year - 2025
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.202501187
Subject(s) - aromaticity , ion , chemistry , hydrogen bond , ring (chemistry) , ion trap , crystallography , decomposition , computational chemistry , chemical physics , stereochemistry , molecule , organic chemistry
Abstract The cyclo ‐pentazolate anion ( cyclo ‐N 5 − ) has garnered significant attention as an all‐nitrogen, five‐membered‐ring ion with a high energy state and unique aromaticity. Typically, the free cyclo ‐N 5 − anion is a highly unstable species, and its stabilization relies on strong interactions, such as a hydrogen bonding network or metal coordination. However, these interactions often compromise the independence of the anion, thus diminishing its aromaticity. Herein, we present a molecular trap designed to encapsulate and isolate cyclo ‐N 5 − through collective weak interactions. This approach utilizes a pre‐positioned ion to subsequently displace the cyclo ‐N 5 − anion into the cage cavity, addressing the challenge posed by the absence of strong‐interaction‐driven binding. This setup preserves the aromaticity of the anion to a significant extent, as predicted by computational studies. More importantly, the decomposition of free cyclo ‐N 5 − within the microenvironment was directly recorded for the first time using single‐crystal X‐ray diffraction analysis.