Planar pentacoordinate carbon in CGa5+ derivatives. Issue 18 (27th April 2018)

• Record Type: Journal Article
• Authors: Pan, Sudip; Cabellos, José Luis; Orozco-Ic, Mesías; Chattaraj, Pratim K.; Zhao, Lili; Merino, Gabriel
• Is Part Of: Physical chemistry chemical physics. Volume 20:Issue 18(2018)
• Page Start: 12350
• Page End: 12355
• Publication Date: 2018-04-27
• Subjects: Chemistry, Physical and theoretical -- Periodicals; 541.3
• DOI: 10.1039/c8cp01009a
• Languages: English
• ISSNs: 1463-9076

Abstract

Abstract : A single isoelectronic substitution by a smaller sized element, Be, is enough to stabilize a CGa5 + cluster with a planar pentacoordinate carbon at the centre. Abstract : We report a family of systems having a planar pentacoordinate carbon (ppC) based on the next heavier analogue of CAl5 +, the ppC system par excellence. Although because of the larger size of Ga, the ppC isomer is not even a local minimum in CGa5 +, a single isoelectronic substitution of Ga by smaller sized Be maximizes the bonding in the ppC form. Retaining the 18 valence electron rule, the global minimum structures of CGa4 Be, CGa3 Be2 −, CGa2 Be3 2−, and CGaBe4 3− clusters and their corresponding lithium salts have a ppC.