Explanipedia

Close Stacking of Antiaromatic Ni(II) Norcorrole Originating from a Four-Electron Multicentered Bonding Interaction Open

Shota Kino, Shusaku Ukai, Norihito Fukui, Rie Haruki, Reiji Kumai , et al. · 2024

A π-conjugated molecule with one electronic spin often forms a π-stacked dimer through molecular orbital interactions between two unpaired electrons. The bonding is recognized as a multicentered two-electron interaction between the two π-c…

Spin–spin interaction in a highly stable neutral diradical: σ-boned dimer of trioxotriangulene Open

T. Murata, Shusaku Ukai, S. Yamaguchi, Ko Furukawa, Yasushi Morita · 2024

A σ-bonded dimer of 4,8,10-trioxotriangulene (TOT) was newly synthesized and its electronic spin structure was characterized. The neutral diradical had a singlet ground state due to the strong antiferromagnetic interaction through the σ-bo…

Changing aromatic properties through stacking: the face-to-face dimer of Ni(<span>ii</span>) bis(pentafluorophenyl)norcorrole Open

Qian Wang, Dage Sundholm, Jürgen Gauß, Tommaso Nottoli, Filippo Lipparini , et al. · 2024

The diatropic (red) and paratropic (yellow) current density of the antiaromatic Ni( ii ) bis(pentafluorophenyl)norcorrole and of its aromatic face-to-face stacked dimer.

Supramolecular Assemblies of Closely Stacked Antiaromatic Ni(II) Norcorrole Dimers via Homochiral and Heterochiral Self-Sorting Open

Siyu Liu, Shusaku Ukai, Ryo Nozawa, Norihito Fukui, Ryota Sugimori , et al. · 2023

Stacking between aromatic π-systems is fundamental to the design of supramolecular assemblies. Recently, π–π stacked antiaromatic π-systems have received considerable attention as some antiaromatic compounds can form closely stacked struct…

A Double Bond Between Two Molecules Open

Shota Kino, Shusaku Ukai, Norihito Fukui, Rie Haruki, Reiji Kumai , et al. · 2023

π-Conjugated molecules with one electronic spin often form π-stacked dimers via molecular-orbital interactions between the two unpaired electrons. These interactions are recognized as intermolecular single bonds between two π-conjugated sy…

CCDC 2107508: Experimental Crystal Structure Determination Open

Shusaku Ukai, Aiko Takamatsu, Masaki Nobuoka, Yusuke Tsutsui, Norihito Fukui , et al. · 2022

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …

A Supramolecular Polymer Constituted of Antiaromatic Ni<sup>II</sup> Norcorroles Open

Shusaku Ukai, Aiko Takamatsu, Masaki Nobuoka, Yusuke Tsutsui, Norihito Fukui , et al. · 2021

For the creation of next‐generation organic electronic materials, the integration of π‐systems has recently become a central theme. Such functional materials can be assembled by supramolecular polymerization when aromatic π‐systems are use…

Cover Feature: Dual‐Ion NiNc Battery: A Sustainable Revolution for Sodium Organic Batteries (Batteries & Supercaps 10/2021) Open

Jinkwang Hwang, Kazuhiko Matsumoto, Rika Hagiwara, Shusaku Ukai, Hiroshi Shinokubo , et al. · 2021

The Cover Feature shows how the NiNc molecules in solid state comprise stable dual-ion mobilities for sodium-organic secondary batteries with interactive structure variations of ion pairs of an ionic liquid electrolyte and a NiNc molecule …

CCDC 2078898: Experimental Crystal Structure Determination Open