ic2c01294_si_001.pdf (3.39 MB)
Integration of Trinuclear Triangle Copper(II) Secondary Building Units in Octacyanidometallates(IV)-Based Frameworks
journal contribution
posted on 2022-06-02, 09:44 authored by Olaf Stefanczyk, Kunal Kumar, TingYun Pai, Guanping Li, Shin-ichi OhkoshiThe
design and synthesis of high-dimensional materials based on
secondary building blocks (SBUs) play a pivotal role in the further
development of functional molecular materials. Herein, the self-assembly
of Cu(II) ions, pyrazole (Hpz), and octacyanidometallate(IV) anions
in the presence of water produced two new isostructural three-dimensional
systems {[Cu3(μ3-OH)(μ-pz)3(H2O)3]2[M(CN)8]}·nH2O (M = W, 1, and Mo, 2). 1 and 2 consist of trinuclear triangle
copper(II) (TTC) SBUs and octacyanidometallates(IV). At room temperature,
both assemblies display strong antiferromagnetic interactions within
the TTC entities with an average CuII···CuII isotropic magnetic coupling constant of about −145
cm–1. Moreover, a detailed analysis of magnetic
data revealed the presence of spin frustration with antisymmetric
magnetic exchange-coupling constants of around +32 and +46 cm–1 for 1 and 2, respectively.
Finally, quantum chemical calculations explained their magnetic and
optical properties.
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trinuclear triangle coppersecondary building unitssecondary building blocksoctacyanidometallate ( ivfunctional molecular materialsdimensional materials based− 145 cmmagnetic data revealedantisymmetric magnetic exchange2 b1 b2 subcu ( iipz )< subii supn )< subaverage cu46 cmspin frustrationroom temperaturepivotal roleoptical propertieshpz ),detailed analysiscoupling constants