title: Two-electron/24-center (2e/24c) bonding in novel diradical π-dimers.
abstract: A series of diradical π-dimers 2 with interesting pancake-shaped 2e/24c π-π bonding character were designed and investigated based on the famous phenalenyl (PLY) π-dimer with 2e/12c π-π bonding character. The position of stronger interaction between two layers of radicals was found by the Wiberg bond index (WBI) maximum component. Further, the different contributions of the interaction energy were analyzed quantitatively by energy decomposition analysis (EDA). Among these new diradical π-dimers, 2180 has the smallest layer distance and the largest interaction between two layers of radicals. The unusual PLY analogues can provide new insights into the unique features of two-electron/multicenter (2e/mc) π-π bonding.
authors.affiliation: The Institute of Functional Material Chemistry, National & Local United Engineering Laboratory for Power Batteries, Northeast Normal University, Changchun, 130024 Jilin, China. hlxu@nenu.edu.cn zmsu@nenu.edu.cn.
authors.forename: Feng-Wei
authors.initials: FW
authors.lastname: Gao
authors.affiliation: The Institute of Functional Material Chemistry, National & Local United Engineering Laboratory for Power Batteries, Northeast Normal University, Changchun, 130024 Jilin, China. hlxu@nenu.edu.cn zmsu@nenu.edu.cn.
authors.forename: Rong-Lin
authors.initials: RL
authors.lastname: Zhong
authors.affiliation: The Institute of Functional Material Chemistry, National & Local United Engineering Laboratory for Power Batteries, Northeast Normal University, Changchun, 130024 Jilin, China. hlxu@nenu.edu.cn zmsu@nenu.edu.cn.
authors.forename: Shi-Ling
authors.initials: SL
authors.lastname: Sun
authors.affiliation: The Institute of Functional Material Chemistry, National & Local United Engineering Laboratory for Power Batteries, Northeast Normal University, Changchun, 130024 Jilin, China. hlxu@nenu.edu.cn zmsu@nenu.edu.cn.
authors.forename: Hong-Liang
authors.initials: HL
authors.lastname: Xu
authors.affiliation: The Institute of Functional Material Chemistry, National & Local United Engineering Laboratory for Power Batteries, Northeast Normal University, Changchun, 130024 Jilin, China. hlxu@nenu.edu.cn zmsu@nenu.edu.cn.
authors.forename: Zhong-Min
authors.initials: ZM
authors.lastname: Su