title: Germanium, carbon-germanium, and silicon-germanium triangulenes.
abstract: A series of germanium-containing triangular molecules have been studied by density functional theory (DFT) calculations. The triangulene topology of the compounds provides for their high-spin ground states and strong sign alternation of spin density and atomic charge distributions. High values of the exchange coupling constants witness ferromagnetic ordering of electronic structures of all studied triangulenes. The compounds bearing more electronegative atoms in a-positions of the triangular networks possess higher aromatic character and stronger ferromagnetic ordering.
authors.affiliation: Institute of Physical and Organic Chemistry, Southern Federal University, Rostov on Don, 344090, Russian Federation.
authors.forename: Olga A
authors.initials: OA
authors.lastname: Gapurenko
authors.affiliation: Southern Scientific Center, Russian Academy of Sciences, Rostov on Don, 344006, Russian Federation.
authors.forename: Andrey G
authors.initials: AG
authors.lastname: Starikov
authors.affiliation: Institute of Physical and Organic Chemistry, Southern Federal University, Rostov on Don, 344090, Russian Federation.
authors.forename: Ruslan M
authors.initials: RM
authors.lastname: Minyaev
authors.affiliation: Institute of Physical and Organic Chemistry, Southern Federal University, Rostov on Don, 344090, Russian Federation.
authors.forename: Vladimir I
authors.initials: VI
authors.lastname: Minkin
keywords: DFT calculations; alternant non-Kekulé structures; germanium-containing triangular molecules; triangulenes