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

A CoII 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 mo...

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Published inChemistry, an Asian journal Vol. 13; no. 11; pp. 1415 - 1418
Main Authors Wang, Quan, Li, Hang‐Xing, Wang, Kun‐Miao, Wang, Xiao, Xue, Zhe, Jia, Lei, Du, Lin, Zhao, Qi‐Hua
Format Journal Article
LanguageEnglish
Published Weinheim Wiley Subscription Services, Inc 04.06.2018
Subjects
Bayesian analysis
Chemistry
cobalt
Cobalt compounds
Compound A
Computer simulation
Coordination polymers
Landé factors
Magnetic properties
Magnetism
Markov analysis
markov chain monte carlo
Markov chains
Monte Carlo simulation
Temperature dependence
zwitterions
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Summary:A CoII 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. Behavioral problems: Two unexpected results using MCMC method were found for fitting magnetic data: (1) there was strong correlation between Landé factors and magnetic exchange parameters based on a perturbation approach by Lloret; (2) the applicable temperature range of the model formula has been determined.
Bibliography:ObjectType-Article-1
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ISSN:1861-4728
1861-471X
DOI:10.1002/asia.201800074