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Planar Pentacoordinate Nitrogen in a Pseudo-Double-Aromatic NBe5H4+ Cluster.
Kalita, Amlan J; Rohman, Shahnaz S; Kashyap, Chayanika; Ullah, Sabnam S; Baruah, Indrani; Guha, Ankur K.
Afiliação
  • Kalita AJ; Advanced Computational Chemistry Centre, Department of Chemistry, Cotton University, Panbazar, Guwahati, Assam 781001, India.
  • Rohman SS; Advanced Computational Chemistry Centre, Department of Chemistry, Cotton University, Panbazar, Guwahati, Assam 781001, India.
  • Kashyap C; Advanced Computational Chemistry Centre, Department of Chemistry, Cotton University, Panbazar, Guwahati, Assam 781001, India.
  • Ullah SS; Advanced Computational Chemistry Centre, Department of Chemistry, Cotton University, Panbazar, Guwahati, Assam 781001, India.
  • Baruah I; Advanced Computational Chemistry Centre, Department of Chemistry, Cotton University, Panbazar, Guwahati, Assam 781001, India.
  • Guha AK; Advanced Computational Chemistry Centre, Department of Chemistry, Cotton University, Panbazar, Guwahati, Assam 781001, India.
Inorg Chem ; 59(24): 17880-17883, 2020 Dec 21.
Article em En | MEDLINE | ID: mdl-33300785
High-level quantum-chemical calculations have been used to predict a cationic ternary NBe5H4+ cluster containing a planar pentacoordinate nitrogen atom. The proposed cluster has pseudo dual aromaticity and is kinetically and thermodynamically very stable.
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Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2020 Tipo de documento: Article
Texto completo
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Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2020 Tipo de documento: Article