M©B7O7+ (M = Ni, Pd, Pt): aromatic molecular stars with a planar heptacoordinate transition metal. Issue 100 (6th December 2021)

• Record Type: Journal Article
• Authors: Jin, Bo; Sun, Rui; Huo, Bin; Yuan, Caixia; Wu, Yan-Bo
• Is Part Of: Chemical communications. Volume 57:Issue 100(2021)
• Page Start: 13716
• Page End: 13719
• Publication Date: 2021-12-06
• Subjects: Chemistry -- Periodicals; 540
• DOI: 10.1039/d1cc05844d
• Languages: English
• ISSNs: 1359-7345

Abstract

Abstract : Global π-aromaticity is absent in thermodynamically stable M©B7 O7 + (M = Ni, Pd, Pt) clusters containing seven σ-donating and π-accepting boron atoms and an exotic planar heptacoordinate transition metal atom. Abstract : The dynamically stable global minima M©B7 O7 + (M = Ni, Pd, Pt) are interesting in that they possess σ-aromaticity alone within the B7 M core moiety, which can be attributed to the strong peripheral localized O → B π back-bonding that leads to the less favourable delocalized M → B π back-bonding over the B7 M core moiety.