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A Series of Weakley-type Polyoxomolybdates: Synthesis, Characterization, and Magnetic Properties by a Combined Experimental and Theoretical Approach
Inorganic Chemistry ( IF 4.3 ) Pub Date : 2018-01-11 00:00:00 , DOI: 10.1021/acs.inorgchem.7b01971 Shan She 1 , Chen Gao 2 , Kun Chen 1 , Aruuhan Bayaguud 1 , Yichao Huang 1 , Bing-Wu Wang 2 , Song Gao 2 , Yongge Wei 1
Inorganic Chemistry ( IF 4.3 ) Pub Date : 2018-01-11 00:00:00 , DOI: 10.1021/acs.inorgchem.7b01971 Shan She 1 , Chen Gao 2 , Kun Chen 1 , Aruuhan Bayaguud 1 , Yichao Huang 1 , Bing-Wu Wang 2 , Song Gao 2 , Yongge Wei 1
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Using DCC as the dehydrating agent, a series of Weakley-type polyoxomolybdates [Bu4N]3{Ln[Mo5O13(OMe)4(NO)]2} (Ln = Tb, Dy, Ho, Er) were synthesized in a one-pot reaction and structurally characterized by elemental, IR, UV–vis analysis, PXRD, and single-crystal X-ray diffraction. Furthermore, the static and dynamic measurements were utilized to investigate their magnetic performances. Typically, slow relaxation of magnetization was observed for Dy analogues with an energy barrier for the reversal of the magnetization of 50 K, which is the highest barrier height observed on the polyoxomolybdates-based single-molecule magnets (SMMs). For a deep understanding of the appearance of the SMM behavior on Weakley-type polyoxomolybdates series, ab initio calculations on {Dy[Mo5O13(OMe)4(NO)]2}3– have been conducted.
中文翻译：
一系列的Weakley型聚氧钼酸盐：合成，表征和磁性能通过组合的实验和理论方法。
使用DCC作为脱水剂，一系列的Weakley型聚氧钼酸盐[Bu 4 N] 3 {Ln [Mo 5 O 13（OMe）4（NO）] 2}（Ln = Tb，Dy，Ho，Er）通过一锅反应合成，并通过元素，红外，紫外-可见分析，PXRD和单晶X射线衍射进行结构表征。此外，利用静态和动态测量来研究其磁性能。通常，对于Dy类似物，观察到磁化的缓慢弛豫，其能量势垒可逆转50 K，这是在基于多氧钼酸盐的单分子磁体（SMM）上观察到的最高势垒高度。为了深入了解Weakley型多氧钼酸盐系列上SMM行为的出现，请从头算计算{Dy [Mo 5 O 13（OMe）4（NO）] 2 } 3– 已经进行了。
更新日期：2018-01-11
中文翻译：
一系列的Weakley型聚氧钼酸盐：合成，表征和磁性能通过组合的实验和理论方法。
使用DCC作为脱水剂，一系列的Weakley型聚氧钼酸盐[Bu 4 N] 3 {Ln [Mo 5 O 13（OMe）4（NO）] 2}（Ln = Tb，Dy，Ho，Er）通过一锅反应合成，并通过元素，红外，紫外-可见分析，PXRD和单晶X射线衍射进行结构表征。此外，利用静态和动态测量来研究其磁性能。通常，对于Dy类似物，观察到磁化的缓慢弛豫，其能量势垒可逆转50 K，这是在基于多氧钼酸盐的单分子磁体（SMM）上观察到的最高势垒高度。为了深入了解Weakley型多氧钼酸盐系列上SMM行为的出现，请从头算计算{Dy [Mo 5 O 13（OMe）4（NO）] 2 } 3– 已经进行了。
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