Genuine quadruple bonds between two main-group atoms. Chemical bonding in AeF (Ae = Be–Ba) and isoelectronic EF (E = B–Tl) and the particular role of d orbitals in covalent interactions of heavier alkaline-earth atoms

Author:

Liu Ruiqin1,Qin Lei1,Zhang Zhaoyin1,Zhao Lili1ORCID,Sagan Filip2,Mitoraj Mariusz2ORCID,Frenking Gernot13ORCID

Affiliation:

1. Institute of Advanced Synthesis, School of Chemistry and Molecular Engineering, State Key Laboratory of Materials-Oriented Chemical Engineering, Nanjing Tech University, Nanjing 211816, China

2. Department of Theoretical Chemistry, Faculty of Chemistry, Jagiellonian University, R. Gronostajowa 2, 30-387 Cracow, Poland

3. Fachbereich Chemie, Philipps-Universität Marburg, Hans-Meerwein-Strasse 4, D-35043 Marburg, Germany

Abstract

The chemical bonds in the group-2 fluoride anions AeF (Ae = Ca, Sr, Ba) have four polarized bonding orbitals, namely two occupied σ orbitals and a pair of occupied degenerate π orbitals with sd-hybridized atomic orbitals of the atoms Ae.

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemistry

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