Abstract
Two new dinuclear zinc(II) complexes, [Zn2(µ1,3-OAc)(L1)2]I·MeOH (1) and [Zn2(µ1,3-OAc)(L2)(NCS)] (2), (where HL1 = 2-(((3-(dimethylamino)propyl)amino)methyl)-6-methoxy-phenol and H2L2 = 2,2′-[(1-Methyl-1,2-ethanediyl)bis(iminomethylene)]bis[6-ethoxyphenol]) have been synthesized and characterized by elemental and spectral analysis. Their X-ray solid state structures have been determined, revealing the existence of intramolecular Zn···O spodium bonds in both complexes due to the presence of methoxy (1) or ethoxy (2) substituents adjacent to the coordinated phenolic O-atom. These noncovalent interactions have been studied using density functional theory (DFT) calculations, the quantum theory of “atoms-in-molecules” and the noncovalent interaction plot. Moreover, a search in the Cambridge structure database (CSD) has been conducted in order to investigate the prevalence of intramolecular spodium bonds in Zn complexes. To our knowledge this is the first investigation dealing with intramolecular spodium bonds.
Highlights
Noncovalent interactions are very important in many fields of research, including molecular recognition, crystal engineering and catalysis [1,2,3]
A search in the Cambridge structure database (CSD) has been conducted in order to investigate the prevalence of intramolecular spodium bonds in Zn complexes
To our knowledge this is the first investigation dealing with intramolecular spodium bonds
Summary
Noncovalent interactions are very important in many fields of research, including molecular recognition, crystal engineering and catalysis [1,2,3]. Among the great deal of noncovalent forces, investigations on σ-hole interactions [4,5] are growing very fast and are definitively recognized by the scientific community as an alternative to the ubiquitous hydrogen bonding [6]. The attractive interaction between elements of Group 12 of the Periodic Table and any electron rich ‘accepting’ atom (:A) [7,8] has been termed as a spodium bond (SpB) [9]. The SpB has become a new member of the σ-hole family of interactions and it is adequate to differentiate the coordination bond (high covalent character) typical of transition metals from the noncovalent contact. SpBs are directional, the electron rich atom is located at distances that are longer than the sum of covalent radii and they are considerably weaker than coordination bonds. The participation of the antibonding σ*(Sp–Y, where Y can be any atom) in the SpB bonding interaction (Y–Sp···:A) has been evidenced [9], as is common in σ-hole interactions [4,5]
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