title: Embedding 1D or 2D cobalt-carboxylate substrates in 3D coordination polymers exhibiting slow magnetic relaxation behaviors: crystal structures, high-field EPR, and magnetic studies.
abstract: By utilizing well-designed bifunctional ligands derived from 1H-imidazole-4,5-dicarboxylic acid, magnetic coordination polymers (CPs) that exhibit slow magnetic relaxation at the low temperature regions were constructed and further structurally characterized. In 1, 1D cobalt-carboxyl chains were stabilized in the final structure. In contrast, by adjusting the length of the substituted arms on imidazole-4,5-dicarboxylic acid, a novel 3D CP, 2 containing 2D 63cobalt-carboxyl layer was obtained. A combination of Quantum Monte Carlo (QMC) simulations and the first-principles Density functional theory (DFT) calculations showed that compound 2 features weak ferro- and antiferro-magnetic coupling mechanisms with two different super-exchange paths of -/+/- for syn-anti carboxylate bridges and -/-/- for syn-syn carboxylate bridges. Through HF-EPR measurements performed on polycrystalline samples over the frequency range of 60-260 GHz and field range of 0-12 T, the effective g-values of 1 and 2 were all larger than 2.00, and the signs of their D values were probably positive.
authors.affiliation: Key laboratory of Material Chemistry for Energy Conversion and Storage, School of Chemistry and Chemical Engineering, Huazhong University of Science and Technology, Wuhan, Hubei 430074, PR China. libao@hust.edu.cn.
authors.forename: Nannan
authors.initials: N
authors.lastname: Mao
authors.affiliation: Key laboratory of Material Chemistry for Energy Conversion and Storage, School of Chemistry and Chemical Engineering, Huazhong University of Science and Technology, Wuhan, Hubei 430074, PR China. libao@hust.edu.cn.
authors.forename: Biquan
authors.initials: B
authors.lastname: Zhang
authors.affiliation: Key Laboratory of Optoelectronic Chemical Materials and Devices of Ministry of Education, School of Chemical and Environmental Engineering Jianghan University, Wuhan, Hubei 430056, PR China.
authors.forename: Fan
authors.initials: F
authors.lastname: Yu
authors.affiliation: Key laboratory of Material Chemistry for Energy Conversion and Storage, School of Chemistry and Chemical Engineering, Huazhong University of Science and Technology, Wuhan, Hubei 430074, PR China. libao@hust.edu.cn.
authors.forename: Xi
authors.initials: X
authors.lastname: Chen
authors.affiliation: Institute of Industrial Catalysis, College of Chemical Engineering Zhejiang University of Technology, Zhejiang, 310023, PR China. glzhuang@zjut.edu.cn.
authors.forename: Gui-Lin
authors.identifier: http://orcid.org/0000-0002-4763-7397
authors.initials: GL
authors.lastname: Zhuang
authors.affiliation: Wuhan National High Magnetic Field Centre Huazhong University of Science and Technology, Wuhan, Hubei 430074, PR China. zxwang@hust.edu.cn.
authors.forename: Zhenxing
authors.initials: Z
authors.lastname: Wang
authors.affiliation: Wuhan National High Magnetic Field Centre Huazhong University of Science and Technology, Wuhan, Hubei 430074, PR China. zxwang@hust.edu.cn.
authors.forename: Zhongwen
authors.initials: Z
authors.lastname: Ouyang
authors.affiliation: Key laboratory of Material Chemistry for Energy Conversion and Storage, School of Chemistry and Chemical Engineering, Huazhong University of Science and Technology, Wuhan, Hubei 430074, PR China. libao@hust.edu.cn.
authors.forename: Tianle
authors.initials: T
authors.lastname: Zhang
authors.affiliation: Key laboratory of Material Chemistry for Energy Conversion and Storage, School of Chemistry and Chemical Engineering, Huazhong University of Science and Technology, Wuhan, Hubei 430074, PR China. libao@hust.edu.cn.
authors.forename: Bao
authors.identifier: http://orcid.org/0000-0003-1154-6423
authors.initials: B
authors.lastname: Li