A Neutron Diffraction and Quantum-Chemical Study of [Mn(ND3)6](N3)2

被引：0
|
作者：
Ivlev, Sergei I. [1 ]
Mueller, Thomas G. [1 ]
Karttunen, Antti J. [2 ]
Hoelzel, Markus [3 ]
Kraus, Florian [1 ]
机构：
[1] Philipps Univ Marburg, Fachbereich Chem, D-35032 Marburg, Germany
[2] Aalto Univ, Dept Chem & Mat Sci, Aalto 00076, Finland
[3] Heinz Maier Leibnitz, Forsch Neutronenquelle, D-85747 Garching, Germany
来源：
ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE | 2018年 / 644卷 / 21期
关键词：
Azides; Manganese; Liquid ammonia; Crystal structure; Neutron diffraction; FREQUENCIES;
D O I：
10.1002/zaac.201800217
中图分类号：
O61 [无机化学];
学科分类号：
070301 ; 081704 ;
摘要：
[Mn(ND3)(6)](N-3)(2) was obtained by careful decomposition of [Mn(ND3)(6)](N-3)(2)center dot 4ND(3) at room temperature. It crystallizes in the monoclinic space group I2/m with a = 8.5905(5), b = 6.8506(4), c = 9.7530(6) angstrom, beta = 94.618(6)degrees, V = 572.10(6) angstrom(3), Z = 2, at T = 3 K. Its crystal structure was elucidated using powder neutron diffraction and confirmed by quantum chemical calculations. The Mn-II cation is coordinated octrahedron-like by ND3 ligands. The azide anion is linear with 178.7(10)degrees and shows N-N distances of 1.178(11) and 1.180(12) angstrom.
引用
收藏
页码：1349 / 1353
页数：5
相关论文
共 50 条
  • [31] Nitrosonium nitrite isomer of N2O3: Quantum-chemical data
    I. I. Zakharov
    O. I. Zakharova
    Journal of Structural Chemistry, 2009, 50 : 212 - 218
  • [32] Neutron diffraction study of Mn3Fe4V6O24
    Bezkrovnyi, A
    Guskos, N
    Typek, J
    Ryabova, NY
    Bosacka, M
    Blonska-Tabero, A
    Kurzawa, M
    Rychlowska-Himmel, I
    Zolnierkiewicz, G
    MATERIALS SCIENCE-POLAND, 2005, 23 (04): : 883 - 890
  • [33] Quantum-chemical calculations and electron diffraction study of the equilibrium molecular structure of vitamin K3
    L. S. Khaikin
    D. S. Tikhonov
    O. E. Grikina
    A. N. Rykov
    N. F. Stepanov
    Russian Journal of Physical Chemistry A, 2014, 88 : 886 - 889
  • [34] SYNTHESIS AND VIBRATIONAL SPECTRA OF [CO(N3)4]2-, [ZN(N3)4]2-, AND [SN(N3)6]2-1
    FORSTER, D
    HORROCKS, WD
    INORGANIC CHEMISTRY, 1966, 5 (09) : 1510 - &
  • [35] The Syntheses and Structure of the Vanadium(IV) and Vanadium(V) Binary Azides V(N3)4, [V(N3)6]2-, and [V(N3)6]-
    Haiges, Ralf
    Boatz, Jerry A.
    Christe, Karl O.
    ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2010, 49 (43) : 8008 - 8012
  • [36] Quantum-chemical calculations and electron diffraction study of the equilibrium molecular structure of vitamin K3
    Khaikin, L. S.
    Tikhonov, D. S.
    Grikina, O. E.
    Rykov, A. N.
    Stepanov, N. F.
    RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY A, 2014, 88 (05) : 886 - 889
  • [37] Aminosilanetrithiol RSi(SH)3: an experimental and quantum-chemical study
    Li, Yan
    Zhu, Hongping
    Andrada, Diego M.
    Frenking, Gernot
    Roesky, Herbert W.
    CHEMICAL COMMUNICATIONS, 2014, 50 (35) : 4628 - 4630
  • [38] Quantum-chemical study of possible structural transformations in 3-methylthio-3-phenyl-2-propenethial
    Shagun, VA
    Timokhina, LV
    Panova, GM
    RUSSIAN CHEMICAL BULLETIN, 1997, 46 (07) : 1216 - 1220
  • [39] Quantum-chemical study of organoxenon molecules Xe(CF3)2 and FXeCF3
    S. G. Semenov
    Yu. F. Sigolaev
    Russian Journal of Organic Chemistry, 2004, 40 : 1757 - 1759
  • [40] Quantum-chemical study of possible structural transformations in 3-methylthio-3-phenyl-2-propenethial
    V. A. Shagun
    L. V. Timokhina
    G. M. Panova
    Russian Chemical Bulletin, 1997, 46 : 1216 - 1220
12345