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Hetero-Polar Sextuple Bond: A Relativistic Quantum Chemical Study.
Kalita, Amlan J; Gohain, Namrata; Bordoloi, Abhik; Bania, Kusum K; Guha, Ankur K.
Afiliação
  • Kalita AJ; Advanced Computational Chemistry Centre, Department of Chemistry, Cotton University, Panbazar, 781001, Guwahati, Assam, India.
  • Gohain N; Advanced Computational Chemistry Centre, Department of Chemistry, Cotton University, Panbazar, 781001, Guwahati, Assam, India.
  • Bordoloi A; Advanced Computational Chemistry Centre, Department of Chemistry, Cotton University, Panbazar, 781001, Guwahati, Assam, India.
  • Bania KK; Department of Chemical Sciences, Tezpur University, Napaam, 784028, Tezpur, Assam, India.
  • Guha AK; Advanced Computational Chemistry Centre, Department of Chemistry, Cotton University, Panbazar, 781001, Guwahati, Assam, India.
Chemphyschem ; 24(9): e202200873, 2023 May 02.
Article em En | MEDLINE | ID: mdl-36747343
ABSTRACT
Number of bonds formed by sharing an electron pair between two atoms is not restricted to one, it can go beyond four and six is the maximum. While homopolar sextuple bond in Mo2 and W2 has been reported, such a high bond order in heteropolar diatomics has remained elusive. In the pursuit of the sextuple bond in polar diatomics, the present study depicts the existence of such multiple bonds in Rhodium-Scandium hetero-diatom based on relativistic quantum chemical calculations. The bonding comprises of three normal electron sharing covalent bonds and three dative covalent bonds.
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Ano de publicação: 2023 Tipo de documento: Article

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Ano de publicação: 2023 Tipo de documento: Article