Experimental and theoretical exploration of magnetic exchange interactions and single-molecule magnetic behaviour of bis(eta(1):eta(2):mu(2)-carboxylate)Gd-2(III)/Dy-2(III) systems

doi:10.1039/c8dt02008f

CORC > 化学研究所 > 中国科学院化学研究所

	Experimental and theoretical exploration of magnetic exchange interactions and single-molecule magnetic behaviour of bis(eta(1):eta(2):mu(2)-carboxylate)Gd-2(III)/Dy-2(III) systems
	Ghosh, Sagar 1; Mandal, Shuvankar 1; Singh, Mukesh Kumar 2; Liu, Cai-Ming 3; Rajaraman, Gopalan 2; Mohanta, Sasankasekhar 1
刊名	DALTON TRANSACTIONS
	2018-09-07
卷号	47 期号:33 页码:11455-11469
ISSN号	1477-9226
DOI	10.1039/c8dt02008f
英文摘要	The present report deals with the syntheses, crystal structures, dc/ac magnetic properties and DFT/ab initio CASSCF calculations of two isomorphous bis((1):(2):(2)-acetate)GdIII2/DyIII2 compounds of the formula [LnIII2L(2)(acetate)(4)(MeOH)(2)] (1, Ln = Gd; 2, Ln = Dy), where HL is (E)-N-(3-ethoxysalicylidene)acetohydrazide. The two lanthanide(iii) centres in each compound are symmetry-related owing to the presence of an inversion centre. Both compounds exhibit intramolecular ferromagnetic exchange interactions. The DyIII2 analogue is a single-molecule magnet (SMM) with U-eff = 52.8 cm(-1) and (0) = 1.52 x 10(-6) s. DFT calculations for 1 and ab initio calculations for 2 also reveal ferromagnetic interactions. Ab initio calculations of the SMM behaviour of 2 and two other reported and structurally related compounds reveal the importance of the weak exchange interaction present between the two Dy-III ions, and a relaxation mechanism has been developed to take into account the magnetic exchange interaction and to rationalize the observed difference in the U-eff values.
语种	英语
出版者	ROYAL SOC CHEMISTRY
WOS记录号	WOS:000442509700020
内容类型	期刊论文
源URL	[http://ir.iccas.ac.cn/handle/121111/41892]
专题	中国科学院化学研究所
通讯作者	Rajaraman, Gopalan; Mohanta, Sasankasekhar
作者单位	1.Univ Calcutta, Dept Chem, 92 APC Rd, Kolkata 700009, India 2.Indian Inst Technol, Dept Chem, Bombay 400076, Maharashtra, India 3.Chinese Acad Sci, Inst Chem, Ctr Mol Sci, Beijing Natl Lab Mol Sci, Beijing 100190, Peoples R China
推荐引用方式 GB/T 7714	Ghosh, Sagar,Mandal, Shuvankar,Singh, Mukesh Kumar,et al. Experimental and theoretical exploration of magnetic exchange interactions and single-molecule magnetic behaviour of bis(eta(1):eta(2):mu(2)-carboxylate)Gd-2(III)/Dy-2(III) systems[J]. DALTON TRANSACTIONS,2018,47(33):11455-11469.
APA	Ghosh, Sagar,Mandal, Shuvankar,Singh, Mukesh Kumar,Liu, Cai-Ming,Rajaraman, Gopalan,&Mohanta, Sasankasekhar.(2018).Experimental and theoretical exploration of magnetic exchange interactions and single-molecule magnetic behaviour of bis(eta(1):eta(2):mu(2)-carboxylate)Gd-2(III)/Dy-2(III) systems.DALTON TRANSACTIONS,47(33),11455-11469.
MLA	Ghosh, Sagar,et al."Experimental and theoretical exploration of magnetic exchange interactions and single-molecule magnetic behaviour of bis(eta(1):eta(2):mu(2)-carboxylate)Gd-2(III)/Dy-2(III) systems".DALTON TRANSACTIONS 47.33(2018):11455-11469.