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

Sergei I. Ivlev; Thomas G. Müller; Antti J. Karttunen; Markus Hoelzel; Florian Kraus

doi:10.1002/zaac.201800217

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

Sergei I. Ivlev, Thomas G. Müller, Antti J. Karttunen, Markus Hoelzel, Florian Kraus^*

^*Corresponding author for this work

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Abstract

[Mn(ND₃)₆](N₃)₂ was obtained by careful decomposition of [Mn(ND₃)₆](N₃)₂·4ND₃ 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) Å, β = 94.618(6)°, V = 572.10(6) Å³, 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)° and shows N-N distances of 1.178(11) and 1.180(12) Å.

Original language	English
Pages (from-to)	1349-1353
Journal	Zeitschrift fur Anorganische und Allgemeine Chemie
Volume	644
Issue number	21
DOIs	https://doi.org/10.1002/zaac.201800217
Publication status	Published - 11 Jun 2018
MoE publication type	A1 Journal article-refereed

Keywords

Azides
Crystal structure
Liquid ammonia
Manganese
Neutron diffraction

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10.1002/zaac.201800217

Mn(ND3)6(N3)2_postprintAccepted author manuscript, 665 KBLicence: CC BY-NC-ND

Cite this

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

abstract = "[Mn(ND3)6](N3)2 was obtained by careful decomposition of [Mn(ND3)6](N3)2·4ND3 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) {\AA}, β = 94.618(6)°, V = 572.10(6) {\AA}3, Z = 2, at T = 3 K. Its crystal structure was elucidated using powder neutron diffraction and confirmed by quantum chemical calculations. The MnII cation is coordinated octrahedron-like by ND3 ligands. The azide anion is linear with 178.7(10)° and shows N-N distances of 1.178(11) and 1.180(12) {\AA}.",

keywords = "Azides, Crystal structure, Liquid ammonia, Manganese, Neutron diffraction",

author = "Ivlev, {Sergei I.} and M{\"u}ller, {Thomas G.} and Karttunen, {Antti J.} and Markus Hoelzel and Florian Kraus",

year = "2018",

month = jun,

day = "11",

doi = "10.1002/zaac.201800217",

language = "English",

volume = "644",

pages = "1349--1353",

journal = "Zeitschrift fur Anorganische und Allgemeine Chemie",

issn = "0044-2313",

publisher = "Wiley-VCH Verlag",

number = "21",

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T1 - A Neutron Diffraction and Quantum-Chemical Study of [Mn(ND3)6](N3)2

AU - Ivlev, Sergei I.

AU - Müller, Thomas G.

AU - Karttunen, Antti J.

AU - Hoelzel, Markus

AU - Kraus, Florian

PY - 2018/6/11

Y1 - 2018/6/11

N2 - [Mn(ND3)6](N3)2 was obtained by careful decomposition of [Mn(ND3)6](N3)2·4ND3 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) Å, β = 94.618(6)°, V = 572.10(6) Å3, Z = 2, at T = 3 K. Its crystal structure was elucidated using powder neutron diffraction and confirmed by quantum chemical calculations. The MnII cation is coordinated octrahedron-like by ND3 ligands. The azide anion is linear with 178.7(10)° and shows N-N distances of 1.178(11) and 1.180(12) Å.

AB - [Mn(ND3)6](N3)2 was obtained by careful decomposition of [Mn(ND3)6](N3)2·4ND3 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) Å, β = 94.618(6)°, V = 572.10(6) Å3, Z = 2, at T = 3 K. Its crystal structure was elucidated using powder neutron diffraction and confirmed by quantum chemical calculations. The MnII cation is coordinated octrahedron-like by ND3 ligands. The azide anion is linear with 178.7(10)° and shows N-N distances of 1.178(11) and 1.180(12) Å.

KW - Azides

KW - Crystal structure

KW - Liquid ammonia

KW - Manganese

KW - Neutron diffraction

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U2 - 10.1002/zaac.201800217

DO - 10.1002/zaac.201800217

M3 - Article

AN - SCOPUS:85050488865

SN - 0044-2313

VL - 644

SP - 1349

EP - 1353

JO - Zeitschrift fur Anorganische und Allgemeine Chemie

JF - Zeitschrift fur Anorganische und Allgemeine Chemie

IS - 21

ER -

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

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

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