Sodium thioether macrocyclic chemistry: remarkable homoleptic octathia coordination to Na(+)

Martin J D Champion; John M Dyke; William Levason; Mark E Light; David Pugh; Hanusha Bhakhoa; Lydia Rhyman; Ponnadurai Ramasami; Gillian Reid

doi:10.1021/acs.inorgchem.5b00156

Sodium thioether macrocyclic chemistry: remarkable homoleptic octathia coordination to Na(+)

Inorg Chem. 2015 Mar 16;54(6):2497-9. doi: 10.1021/acs.inorgchem.5b00156. Epub 2015 Feb 27.

Authors

Martin J D Champion¹, John M Dyke, William Levason, Mark E Light, David Pugh, Hanusha Bhakhoa, Lydia Rhyman, Ponnadurai Ramasami, Gillian Reid

Affiliation

¹ School of Chemistry, University of Southampton , Southampton SO17 1BJ, U.K.

PMID: 25723901
DOI: 10.1021/acs.inorgchem.5b00156

Abstract

Unprecedented homoleptic octathioether macrocyclic coordination to Na(+) in [Na([24]aneS8)](+) has been achieved by using Na[B{3,5-(CF3)2-C6H3}4] as a source of "naked" Na(+) ions and confirmed crystallographically, with d(Na-S) = 2.9561(15)-3.0524(15) Å. Density functional theory calculations show that there is electron transfer from the S 3p and C 2p valence orbitals of the ligand to the 3s and 3p orbitals of the Na(+) ion upon complexation.