Ultrashort Beryllium−Beryllium Distances Rivalling Those of Metal−Metal Quintuple Bonds Between Transition Metals. (16th November 2016)

• Record Type: Journal Article
• Authors: Yuan, Caixia; Zhao, Xue‐Feng; Wu, Yan‐Bo; Wang, Xiaotai
• Is Part Of: Angewandte Chemie. Volume 128:Number 50(2016)
• Page Start: 15880
• Page End: 15884
• Publication Date: 2016-11-16
• Subjects: Kleine Metall-Metall-Abstände -- Metall-Metall-Bindungen -- N-heterocyclische Carbene -- Niedervalente Berylliumcluster; Chemistry -- Periodicals; 540
• DOI: 10.1002/ange.201609455
• Languages: English
• ISSNs: 0044-8249

Abstract

Abstract: Chemical bonding is at the heart of chemistry. Recent work on high bond orders between homonuclear transition metal atoms has led to ultrashort metal−metal (TM−TM) distances defined as d M−M <1.900 Å. The present work is a computational design and characterization of novel main group species containing ultrashort metal−metal distances (1.728–1.866 Å) between two beryllium atoms in different molecular environments, including a rhombic Be2 X2 (X=C, N) core, a vertical Be−Be axis in a 3D molecular star, and a horizontal Be−Be axis supported by N‐heterocyclic carbene (NHC) ligands. The ultrashort Be−Be distances are achieved by affixing bridging atoms to attract the beryllium atoms electrostatically or covalently. Among these species are five global minima and one chemically viable diberyllium complex, which provide potential targets for experimental realization.