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A Weakly Antiferromagnetically Coupled Biradical Combining Verdazyl with Nitronylnitroxide Units
Author(s) -
Petunin Pavel V.,
Rybalova Tatyana V.,
Trusova Marina E.,
Uvarov Mikhail N.,
Kazantsev Maxim S.,
Mostovich Evgeny A.,
Postulka Lars,
Eibisch Paul,
Wolf Bernd,
Lang Michael,
Postnikov Pavel S.,
Baumgarten Martin
Publication year - 2020
Publication title -
chempluschem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.801
H-Index - 61
ISSN - 2192-6506
DOI - 10.1002/cplu.201900709
Subject(s) - intramolecular force , intermolecular force , sonogashira coupling , yield (engineering) , chemistry , coupling constant , coupling (piping) , solvent , magnetization , antiferromagnetism , chemical physics , computational chemistry , materials science , stereochemistry , condensed matter physics , molecule , organic chemistry , magnetic field , catalysis , physics , palladium , particle physics , quantum mechanics , metallurgy
Abstract An antiferromagnetically (AFM) coupled biradical based on oxoverdazyl and nitronylnitroxide was synthesized in 46 % yield using Sonogashira coupling. The obtained heterobiradical evidenced distinct properties of both radical entities in solution. Depending on the solvent, the prepared biradical crystallized in two different forms. SQUID magnetization measurements on Form II showed coupling constants J intraII /k B =−2.1 K and z J interII /k B =−11.5 K. Consequently, total intermolecular exchange interactions are five times larger than the intramolecular ones. Further, DFT calculations explained this phenomenon and indicated the advantage of Form I for further in‐depth investigations.