Joining of trinuclear (CuL)(2)M (M = Mn-II and Cd-II) nodes by 1,3-and 1,4-benzenedicarboxylate linkers: positional isomeric effect on co-crystallization

Dutta Sabarni; Jana Subrata; Mahapatra Prithwish; Bauza Antonio; Frontera Antonio; Ghosh Ashutosh

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Joining of trinuclear (CuL)(2)M (M = Mn-II and Cd-II) nodes by 1,3-and 1,4-benzenedicarboxylate linkers: positional isomeric effect on co-crystallization

机译：将三核（CUL）（2）m（m = Mn-II和CD-II）节点的连接1,3-和1,4-苯并二羧酸甲酯接头：结晶的位置异构效应

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Four new one-dimensional coordination polymers {[(CuL)(2)Cd(rho-BDC)].H2O}(n) (1), {[(CuL)(2)Mn(p-BDC)].H2O}(n) (2), {[(CuL)(2)Cd(m-BDC)][(CuL)(2)]}(n) (3), and {[(CuL)(2)Mn(m-BDC)][(CuL)(2)]}(n) (4), where H2L = N,N-bis(alpha-methylsalicylidene)-1,3-propanediamine, have been synthesized using bimetallic trinuclear nodes, [(CuL)(2)M] (where M is Mn-II/Cd-II and p-BDC and m-BDC are 1,4- and 1,3-benzenedicarboxylate, respectively). Crystal structures show that all four complexes form 1D chains in which the heterometallic linear trinuclear nodes are connected by syn-syn bridging dicarboxylate linkers. However, in 1 and 2 the nodes which are connected by linear p-BDC are parallel to each other whereas in 3 and 4 the nodes are inclined towards each other to be connected by the angular m-BDC linker. Moreover, complexes 3 and 4 are co-crystallized with dimeric Cu-II units which are accommodated in the cavities between polymeric chains. This difference in the solid-state crystal packing is explained theoretically by DFT calculations of complexes 1 and 3 considering the positional isomeric effect of dicarboxylate linkers. Variable temperature magnetic susceptibility measurements of complexes 2 and 4 indicate antiferromagnetic interactions between the Cu-II and Mn-II centers with J = -13.08 and -12.11 cm(-1) for 2 and 4, respectively.

机译：四种新的一维协调聚合物{[（CUL）（2）CD（RHO-BDC）]。H2O}（N）（1），{[（CUL）（2）MN（P-BDC）]。H2O} （N）（2），{[（CUL）（2）Cd（M-BDC）] [（CUL）（2）]}（N）（3），和{[（CUL）（2）MN（m -Bdc）] [（CUL）（2）]}（n）（4），其中使用双金属三核节点合成H2L = N，N-BIS（α-甲基仲二酰胺）-1,3-丙二胺，[（ CUL）（2）M]（其中M是Mn-II / CD-II，P-BDC和M-BDC分别为1,4-和1,3-苯并二羧酸盐）。晶体结构表明，所有四个复合物形成1D链，其中杂动机线性三核节点通过同步桥接二羧酸二羧酸二羧酸二羧酸盐接头连接。然而，在1和2中，通过线性P-BDC连接的节点彼此平行，而在3和4中，节点朝向彼此倾斜以通过角M-BDC连接器连接。此外，复合物3和4用二聚体Cu-II单元共结晶，其容纳在聚合物链之间的空腔中。考虑到二羧酸二羧酸二羧酸盐接头的位置异构效应，理论上通过DFT计算理论上解释固态晶体包装中的这种差异。复合物2和4的可变温度磁性敏感性测量表明Cu-II和Mn-II中心之间的反铁磁性相互作用分别为2和4的J = -13.08和-12.11cm（-1）。

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《CrystEngComm》 |2018年第41期|共12页
作者
Dutta Sabarni; Jana Subrata; Mahapatra Prithwish; Bauza Antonio; Frontera Antonio; Ghosh Ashutosh;
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Univ Calcutta Univ Coll Sci Dept Chem 92 APC Rd Kolkata 700009 India;

Univ Calcutta Univ Coll Sci Dept Chem 92 APC Rd Kolkata 700009 India;

Univ Calcutta Univ Coll Sci Dept Chem 92 APC Rd Kolkata 700009 India;

Univ Illes Balears Dept Quim Crta Valldemossa Km 7-5 Palma De Mallorca 07122 Baleares Spain;

Univ Illes Balears Dept Quim Crta Valldemossa Km 7-5 Palma De Mallorca 07122 Baleares Spain;

Univ Calcutta Univ Coll Sci Dept Chem 92 APC Rd Kolkata 700009 India;

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中图分类化学工业;晶体学;
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1. Joining of trinuclear (CuL)(2)M (M = Mn-II and Cd-II) nodes by 1,3-and 1,4-benzenedicarboxylate linkers: positional isomeric effect on co-crystallization [J] . Dutta Sabarni, Jana Subrata, Mahapatra Prithwish, CrystEngComm . 2018,第41期

机译：将三核（CUL）（2）m（m = Mn-II和CD-II）节点的连接1,3-和1,4-苯并二羧酸甲酯接头：结晶的位置异构效应
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Joining of trinuclear (CuL)(2)M (M = Mn-II and Cd-II) nodes by 1,3-and 1,4-benzenedicarboxylate linkers: positional isomeric effect on co-crystallization

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