A Complex Containing Four Magnesium Atoms and Two Mg–Mg Bonds Behaving as an Electride. Issue 38 (10th October 2019)

• Record Type: Journal Article
• Authors: Saha, Ranajit; Das, Prasenjit; Chattaraj, Pratim Kumar
• Is Part Of: European journal of inorganic chemistry. Issue 38(2019)
• Page Start: 4105
• Page End: 4111
• Publication Date: 2019-10-10
• Subjects: Subvalent Mg complexes -- Mg(I)–Mg(I) bonds -- Electride -- Non‐nuclear attractors (NNA) -- Electron localization function (ELF); Chemistry, Inorganic -- Periodicals; Organometallic chemistry -- Periodicals; Bioinorganic chemistry -- Periodicals; Solid state chemistry -- Periodicals; 546
• DOI: 10.1002/ejic.201900813
• Languages: English
• ISSNs: 1434-1948

Abstract

Abstract : Herein, we report for the first time the stabilization of two Mg(I)–Mg(I) bonds simultaneously in the same complex. The β‐diketeminate based ligand is modified computationally and a new class of ligand, Dipp H L (Dipp = 2, 6‐diisopropylphenyl) is designed that can hold two Mg atoms. Two such ligands stabilize two Mg2 2+ ions in a planar configuration and [Mg4 ( Dipp H L)2 ] 2– complex is formed. Formation of a synthetically viable neutral [Mg4 ( Dipp H L)2 ] 2– · 2[K@CE] + (CE = 18‐crown‐6 ether) complex is possible with the reduction of a proper precursor‐like [Mg2 ( Dipp H L)I2 ] – with potassium metals in toluene solvent and the reaction is exothermic in nature. The computed Mg–Mg bond lengths are in close agreement with that of the Mg–Mg single bond. The results obtained from natural bond orbital (NBO) and atoms in molecule (AIM) analyses confirm the presence of two Mg–Mg bonds in the complex. The complex under study has fulfilled all of the desired criteria and proved itself to be termed as an electride. Abstract : A new glass of ligand has been designed that can stabilize two Mg(I)–Mg(I) bonds simultaneously in a single complex. Density functional theory (DFT) based computations reveal that the complex can be identified as an electride. Based on the thermochemical results, the synthesis of the designed complex is expected to be possible in the near future.