A dinuclear manganese(II) complex {[Na2(H2O)4Mn2(μ-pmtz)4(NCS)2]•χH2O)n with 5-(pyrimidyl)tetrazolato bridges involved in 1D ladder-like chains: Synthesis, X-ray structure, magnetic properties and DFT calculations

被引：4
|
作者：
Herchel, Radovan [1 ]
Novosad, David [1 ]
Travnicek, Zdenek [1 ]
机构：
[1] Palacky Univ, Fac Sci, Dept Inorgan Chem, Reg Ctr Adv Technol & Mat, CZ-77146 Olomouc, Czech Republic
来源：
POLYHEDRON | 2012年 / 42卷 / 01期
关键词：
Manganese(II) complex; 5-(Pyrimidyl)tetrazolate; Antiferromagnetic exchange; Crystal structure; DFT; TRANSITION-METAL DIMERS; LUMINESCENCE PROPERTIES; COORDINATION POLYMERS; EXCHANGE INTERACTIONS; CRYSTAL-STRUCTURES; DENSITY; LIGAND;
D O I：
10.1016/j.poly.2012.04.041
中图分类号：
O61 [无机化学];
学科分类号：
070301 ; 081704 ;
摘要：
A dinuclear manganese(II) unit of the composition {[Na-2(H2O)(4)Mn-2(mu-pmtz)(4)(NCS)(2)]center dot chi H2O)(n) (1 center dot chi H2O) (x = 3 or 0.5), where pmtz = 5-(pyrimidyl)tetrazolate(1-), involved in 1D ladder-like chains mediated through pmtz bridges, was prepared and characterized by elemental analysis, FT-IR spectroscopy, simultaneous thermogravimetric (TG) and differential thermal (DTA) analyses, single crystal X-ray analysis and magnetic measurements, accompanied by DFT calculations. The magnetic data, treated with the spin Hamiltonian formalism, revealed a weak antiferromagnetic exchange mediated via the kappa N-2(1),N-7:kappa N-2 chelating/bridging mode of pmtz. This finding was also supported by the DFT calculations performed on the experimentally determined geometry of the dinuclear manganese(II) unit at the B3LYP/TZVP and B2PLYP/TZVP levels of theory. (c) 2012 Elsevier Ltd. All rights reserved.
引用
收藏
页码：50 / 56
页数：7
相关论文
共 50 条
  • [21] Hydrothermal Synthesis and Crystal Structures of Cd(II)-Based 1D Coordination Polymer and Mn(II) Coordination Complex with Mixed N- and O-donor Ligands: [Cd2(4-4'-bpy)2(pa)4] n •0.25(H2O) and [Mn(4-4'-bpy)2(pa)(H2O)3]ClO4•2(H2O)
    Kani, Ibrahim
    Aksu, Yilmaz
    JOURNAL OF INORGANIC AND ORGANOMETALLIC POLYMERS AND MATERIALS, 2010, 20 (01) : 69 - 77
  • [22] [Na4(N5)4(H2O)2]•H2O•2MeOH: a honeycomb-like sodium pentazolate framework with helical chains
    Xu, Yuangang
    Xu, Ze
    Zhang, Xiaopeng
    Hou, Tianyang
    Lu, Ming
    CRYSTENGCOMM, 2022, 24 (27) : 4853 - 4856
  • [23] Synthesis, Structure and Characterization of a New Complex: [Mn(C6H12N4)2(H2O)4][Mn(H2O)6][SO4]2•t6H2O
    Li Deng-Peng
    Xu Zhi-Huang
    Ye Li-Wang
    Cao Teng-Fei
    Zhuang Xin-Xin
    CHINESE JOURNAL OF STRUCTURAL CHEMISTRY, 2021, 40 (09) : 1169 - 1176
  • [24] A novel type of ladder-like structure of manganese(II) complex ([MnPz dc.2H(2)O].2H(2)O)(n): Crystal structure and magnetic properties.
    Zou, JZ
    Xu, Z
    Wei, C
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1997, 214 : 99 - INOR
  • [25] [{Er(NC5H4COOH)(H2O)2}2(H5O2)(HgCI5)(HgCI4)2(H2O)2]n -: Synthesis, crystal structure and properties
    Chen, Wen-Tong
    Xu, Ya-Ping
    Luo, Qiu-Yan
    Fang, Xiao-Niu
    Chen, Hua-Long
    ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE, 2008, 634 (03): : 529 - 533
  • [26] Hydrates [Na2(H2O)x](2-thiobarbiturate)2 (x=3, 4, 5): crystal structure, spectroscopic and thermal properties
    Golovnev, Nicolay N.
    Molokeev, Maxim S.
    Sterkhova, Irina V.
    Atuchin, Victor V.
    Sidorenko, Maxim Y.
    JOURNAL OF COORDINATION CHEMISTRY, 2016, 69 (21) : 3219 - 3230
  • [27] Synthesis,Crystal Structure and Electrochemical Property of a Dinuclear Manganese（Ⅱ） Complex [Mn2(C12H8N2)4（C8H5O4）2]（C8H4O4）·H2O
    张少华
    杨颖群
    李薇
    李昶红
    匡云飞
    结构化学, 2011, 30 (10) : 1497 - 1500
  • [28] Crystal structure and magnetic properties of a nitronyl nitroxide complex {[Co2(NIT4Py)4(fum)2(H2O)4] • (H2O)2}n
    Zhang, Xu-Hong
    Guo, Le
    Wang, Shu-Ping
    Yang, Shu-Tao
    Song, You
    JOURNAL OF COORDINATION CHEMISTRY, 2010, 63 (18) : 3198 - 3206
  • [29] Synthesis, structure and magnetic properties of a novel 1D coordination polymer {[Cu2(amtrz)4(1,1-μ-NCS)2](ClO4)2•H2O}n
    Ding, Bin
    Huang, Yong Quan
    Liu, Yuan Yuan
    Shi, Wei
    Cheng, Peng
    INORGANIC CHEMISTRY COMMUNICATIONS, 2007, 10 (01) : 7 - 10
  • [30] Synthesis, DFT calculations of structure, vibrational and thermal decomposition studies of the metal complex Pb[Mn(C3H2O4)2(H2O)2]
    Gil, Diego M.
    Carbonio, Raul E.
    Ines Gomez, Maria
    SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2015, 141 : 233 - 238
12345