Tuning Diradical Properties of Boron‐Containing π‐Systems by Structural Isomerism

X Tian, J Guo, W Sun, L Yuan, C Dou… - … –A European Journal, 2022 - Wiley Online Library
Tuning diradical character is an important topic for organic diradicaloids. Herein, we report
the precise borylation enabling structural isomerism as an effective strategy to modulate …

Metal–Ligand Exchange Coupling Alters the Open-Shell Ligand Electronic Structure in a Bis (semiquinone) Complex

PD Miller, J Mengell, DA Shultz, ML Kirk - Inorganic Chemistry, 2024 - ACS Publications
The electronic structure of the bis (dioxolene) bridging ligand-SQ 2 Th 2-is responsive to
metal–ligand magnetic exchange coupling. Comparison of the crystal structure of (NiSQ) 2 …

Valence bond theory reveals hidden delocalized diradical character of polyenes

J Gu, W Wu, D Danovich, R Hoffmann… - Journal of the …, 2017 - ACS Publications
The nature of the electronic-structure of polyenes, their delocalization features, and potential
diradicaloid characters constitute a fundamental problem in chemistry. To address this …

Oligothiophene quinoids containing a benzo [c] thiophene unit for the stabilization of the quinoidal electronic structure

K Yamamoto, Y Ie, M Nitani, N Tohnai… - Journal of Materials …, 2018 - pubs.rsc.org
Bis (dicyanomethylene)-substituted quinoidal π-conjugated systems possess a high electron-
accepting nature and thus have been extensively investigated for application as n-type …

Synthesis of low-bandgap small molecules by extending the π-conjugation of the termini in quinoidal compounds

C Wang, T Du, Z Liang, J Zhu, J Ren… - Journal of Materials …, 2021 - pubs.rsc.org
Low-bandgap π-conjugated small molecules have multiple applications. However, it is still a
big challenge to develop such materials because of the scarcity of effective synthetic …

Diradical character-based design for singlet fission of bisanthene derivatives: aromatic-ring attachment and π-plane twisting

S Ito, T Nagami, M Nakano - The journal of physical chemistry …, 2016 - ACS Publications
We demonstrate a diradical character-based molecular design for singlet fission using
polycyclic aromatic hydrocarbons, bisanthene derivatives. Two types of chemical …

Substitution effect on carbazole-centered donors for tuning exciplex systems as cohost for highly efficient yellow and red OLEDs

LM Chen, IH Lin, YC You, WC Wei, MJ Tsai… - Materials Chemistry …, 2021 - pubs.rsc.org
Three new carbazole-based hole-transporting materials PTCz-9′ Cz, PTCz-3′ TCz, and
PTCz-NTol2 were synthesized, characterized, and examined for the propensity of exciplex …

Size Dependence of [n]Cycloparaphenylenes (n = 9–20): Relationship between Aromaticity and Third-Order Nonlinear Optical Properties

L Wang, SH Chen, D He, QJ Li, YL Liu… - The Journal of Physical …, 2020 - ACS Publications
As influence factors in generating third-order nonlinear optical (NLO) responses, several
parameters, including the length of π-conjugated linkers, donor/acceptor substituents, and …

Third-Order Nonlinear Optical Properties of Endohedral Fullerene (H2)2@C70 and (H2O)2@C70 Accompanied by the Prospective of Novel (HF)2@C70

L Wang, JT Ye, HQ Wang, HM Xie… - The Journal of Physical …, 2018 - ACS Publications
In view of the experimental observation of (H2) 2@ C70 and (H2O) 2@ C70, it has been
suggested that hydrogen fluoride (HF) dimer can be completely localized within the sub …

Cross-conjugated isothianaphthene quinoids: a versatile strategy for controlling electronic structures

K Yamamoto, SM Quintero, S Jinnai, E Jeong… - Journal of Materials …, 2022 - pubs.rsc.org
The elucidation of new structure–property relationships in π-conjugated molecules bearing
quinoidal moieties is of relevance because of their use in organic electronics applications …