Structure and bonding of [Pd2Sn18]4−: an interesting example of the mutual delocalisation phenomenon. Issue 7 (27th January 2017)

• Record Type: Journal Article
• Authors: Sheong, Fu Kit; Chen, Wen-Jie; Zhang, Jing-Xuan; Li, Yang; Lin, Zhenyang
• Is Part Of: Dalton transactions. Volume 46:Issue 7(2017)
• Page Start: 2214
• Page End: 2219
• Publication Date: 2017-01-27
• Subjects: Chemistry, Inorganic -- Periodicals; Chemistry, Physical and theoretical -- Periodicals; Chemistry, Inorganic -- Periodicals; 546.05
• DOI: 10.1039/c6dt04561h
• Languages: English
• ISSNs: 1477-9226

Abstract

Abstract : The [Pd2 Sn18 ] 4− cluster can be elucidated based on the mutual delocalisation of two identical [PdSn9 ] 2− fragments. Other roles of the [E9 ] 2− (E = Group 14 element) fragments were also examined. Abstract : In this article, we have presented a computational analysis on the structure and bonding of [Pd2 Sn18 ] 4− and illustrated that it serves as an interesting example of OMO–UMO mutual delocalisation with two identical [PdE9 ] 2− fragments. We have also illustrated the alternative roles that could be played by an [ME9 ] 2− /[E9 ] 2− fragment, a simple L-type donor and a lone-pair acceptor.