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
文献类型：期刊论文
| 作者 | Ghosh, Sagar1; Mandal, Shuvankar1; Singh, Mukesh Kumar2; Liu, Cai-Ming3; Rajaraman, Gopalan2; Mohanta, Sasankasekhar1 |
| 刊名 | DALTON TRANSACTIONS
 |
| 出版日期 | 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 |
| WOS记录号 | WOS:000442509700020 |
| 出版者 | ROYAL SOC CHEMISTRY |
| 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. |
入库方式： OAI收割
来源：化学研究所
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