Markov Chain Monte Carlo (MCMC) Method for Studying Magnetic Behaviors in Trinuclear Cobalt(II) Compound

Quan Wang; Hang-Xing Li; Kun-Miao Wang; Xiao Wang; Zhe Xue; Lei Jia; Lin Du; Qi-Hua Zhao

doi:10.1002/asia.201800074

Markov Chain Monte Carlo (MCMC) Method for Studying Magnetic Behaviors in Trinuclear Cobalt(II) Compound

Chem Asian J. 2018 Jun 4;13(11):1415-1418. doi: 10.1002/asia.201800074. Epub 2018 May 9.

Authors

Quan Wang¹, Hang-Xing Li¹, Kun-Miao Wang², Xiao Wang¹, Zhe Xue¹, Lei Jia¹, Lin Du^{1

3}, Qi-Hua Zhao^{1

3}

Affiliations

¹ Key Laboratory of Medicinal Chemistry for Natural Resource Education Ministry, School of Chemical Science and Technology Pharmacy, Yunnan University, Kunming, 650091, China.
² Key Laboratory of Tobacco Chemistry of Yunnan Province., R&D Center of China Tobacco Yunnan Industrial Co., Ltd., Kunming, 650000, China.
³ Functional Molecules Analysis and Biotransformation key laboratory of Universities, Yunnan University, Kunming, 650091, China.

PMID: 29582560
DOI: 10.1002/asia.201800074

Abstract

A Co^II coordination polymer built from a mixed azide and zwitterionic pyridinium ions and its temperature-dependent magnetic properties are described. We used the Markov chain Monte Carlo (MCMC) method to fit the data, and found the following results: (1) there are strong correlations between the model parameters; (2) the data at above 28 K are well fitted by the magnetism model.

Keywords: Landé factors; cobalt; magnetic properties; markov chain monte carlo; zwitterions.