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D 4h H©K4H4-: a planar tetracoordinate hydrogen global minimum.
Bai, Li-Xia; Jin, Yan-Xia; Guo, Jin-Chang.
Affiliation
  • Bai LX; Key Laboratory of Materials for Energy Conversion and Storage of Shanxi Province, Institute of Molecular Science, Shanxi University, Taiyuan 030006, China. guojc@sxu.edu.cn.
  • Jin YX; Key Laboratory of Materials for Energy Conversion and Storage of Shanxi Province, Institute of Molecular Science, Shanxi University, Taiyuan 030006, China. guojc@sxu.edu.cn.
  • Guo JC; Key Laboratory of Materials for Energy Conversion and Storage of Shanxi Province, Institute of Molecular Science, Shanxi University, Taiyuan 030006, China. guojc@sxu.edu.cn.
Chem Commun (Camb) ; 60(49): 6300-6303, 2024 Jun 13.
Article in En | MEDLINE | ID: mdl-38818579
ABSTRACT
Herein we report a square-like D4h H©K4H4- anion with one planar tetracoordinate hydrogen (ptH) center, which is the global minimum (GM) structure and possesses good dynamic stability. The planar structure of the system is preserved by four peripheral K-H-K three-center two-electron (3c-2e) σ bonds together with one 5c-2e σ bond over the HK4 core. The multicenter ionic bonds dominate the stability of ptH, while the contribution of qualitative σ aromaticity is extremely limited.
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Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: Chem Commun (Camb) Journal subject: QUIMICA Year: 2024 Document type: Article Affiliation country:
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Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: Chem Commun (Camb) Journal subject: QUIMICA Year: 2024 Document type: Article Affiliation country: