Diradicals

M Abe - Chemical Reviews, 2013 - ACS Publications
Open-shell molecules such as radicals, carbenes, and electronically excited-state molecules
exhibit high energies, and thus, in general, they are quite reactive. 1 The short-lived species …

Benzenoid quinodimethanes

A Konishi, T Kubo - Physical Organic Chemistry of Quinodimethanes, 2018 - Springer
Reactivity and physical properties of p-conjugated hydrocarbon systems depend
predominantly on the topology of p-electrons array. Quinoidal conjugations serve as giving …

A Stable Triplet‐Ground‐State Conjugated Diradical Based on a Diindenopyrazine Skeleton

ZY Wang, YZ Dai, L Ding, BW Dong… - Angewandte Chemie …, 2021 - Wiley Online Library
High‐spin conjugated radicals have great potential in magnetic materials and organic
spintronics. However, to obtain high‐spin conjugated radicals is still quite challenging due to …

Blatter diradicals with a spin coupler at the N (1) position

D Pomikło, P Kaszyński - Chemistry–A European Journal, 2023 - Wiley Online Library
Reactions of a benzo [e][1, 2, 4] triazine with dilithiobenzenes lead to di‐Blatter diradicals
connected at the N (1) positions via a spin coupling unit, 1, 4‐phenylene or 1, 3‐phenylene …

CAAC‐based Thiele and Schlenk hydrocarbons

A Maiti, J Stubbe, NI Neuman, P Kalita… - Angewandte …, 2020 - Wiley Online Library
Diradicals have been of tremendous interest for over a century ever since the first reports of
p‐and m‐phenylene‐bridged diphenylmethylradicals in 1904 by Thiele and 1915 by …

The Triplet–Singlet Gap in the m-Xylylene Radical: A Not So Simple One

D Reta Mañeru, AK Pal, IPR Moreira… - Journal of Chemical …, 2014 - ACS Publications
Meta-benzoquinodimethane (MBQDM) or m-xylylene provides a model for larger organic
diradicals, the triplet–singlet gap being the key property. In the present work this energy …

[HTML][HTML] Design of magnetic organic molecules and organic magnets: experiment, theory and computation with application and recent advances

SN Datta, AK Pal, A Panda - Chemical Physics Impact, 2023 - Elsevier
We begin by reviewing the early developments in the synthesis of high-spin organic
molecules and the simultaneous rationalization of the ground states of high spin. A number …

[图书][B] Theoretical and computational aspects of magnetic organic molecules

SN Datta, CO Trindle, F Illas - 2013 - books.google.com
Organic materials with extraordinary magnetic properties promise a wide range of light,
flexible, and inexpensive alternatives to familiar metal-based magnets. Individual organic …

Quantum chemical approaches for controlling and evaluating intramolecular magnetic interactions in organic diradicals

D Cho, KC Ko, JY Lee - International Journal of Quantum …, 2016 - Wiley Online Library
In this review, rational design strategies for pure organic high‐spin molecules with strong
intramolecular magnetic interactions are presented, mostly focusing on the design of …

Bis‐Olefin Based Crystalline Schlenk Hydrocarbon Diradicals with a Triplet Ground State

P Saha, N Chrysochos, BJ Elvers… - Angewandte Chemie …, 2023 - Wiley Online Library
A modular approach for the synthesis of isolable crystalline Schlenk hydrocarbon diradicals
from m‐phenylene bridged electron‐rich bis‐triazaalkenes as synthons is reported. EPR …