Stabilization of Ni2+ dimers in hexacyano Mo6 cluster-based Prussian blue derivatives

Standard

Stabilization of Ni²⁺ dimers in hexacyano Mo₆ cluster-based Prussian blue derivatives : Experimental and theoretical investigations of magnetic properties. / Daigre, Gilles; Costuas, Karine; Tarasenko, Maria S. et al.

In: Dalton Transactions, Vol. 47, No. 4, 01.01.2018, p. 1122-1130.

Research output: Contribution to journal › Article › peer-review

Harvard

Daigre, G, Costuas, K, Tarasenko, MS, Ledneva, AY, Naumov, NG, Lemoine, P, Guizouarn, T, Molard, Y, Amela-Cortes, M, Audebrand, N & Cordier, S 2018, 'Stabilization of Ni²⁺ dimers in hexacyano Mo₆ cluster-based Prussian blue derivatives: Experimental and theoretical investigations of magnetic properties', Dalton Transactions, vol. 47, no. 4, pp. 1122-1130. https://doi.org/10.1039/c7dt02748f

BibTeX

@article{1041f48c860349eaa1bb3cdaf89a75ba,

title = "Stabilization of Ni2+ dimers in hexacyano Mo6 cluster-based Prussian blue derivatives: Experimental and theoretical investigations of magnetic properties",

abstract = "Herein, two new octahedral molybdenum cyanide cluster compounds, namely [{Ni(NH3)6}4{Ni2(NH3)8}1][Mo6Br6Q2(CN)6]3·12H2O, Q = S (1) and Se (2), have been synthesized as single crystals by slow diffusion of a solution of nickel chloride into aqueous ammonia solutions of a K2Cs2[Mo6Br6Q2(CN)6] molybdenum cyanide cluster-based compound. Both 1 and 2 were structurally characterized by single-crystal X-ray diffraction. They are isostructural and crystallize in the cubic system (Im3m (no. 229); Z = 2, a = 18.147(1) {\AA}, and V = 5976(1) {\AA}3 and a = 18.188(2) {\AA} and V = 6016(2) {\AA}3 for 1 and 2, respectively). 1 and 2 are based on the association of [Mo6Bri 6Qi 2(CN)a 6]4- (Q = S, Se) cluster anions with Ni2+ dimer-based cubic [Ni2(NH3)8]4+ and octahedral [Ni(NH3)6]2+ cations. The structure is based on 2-fold interpenetrated [{Ni(NH3)6}4{Ni2(NH3)8}1][Mo6Br6Q2(CN)6]3 frameworks related to each other by [1/2, 1/2, 1/2] translation. The unit cell is based on a body-centered cubic framework of cubic [Ni2(NH3)8]4+. The [Mo6Bri 6Qi 2(CN)a 6]4- (Q = S, Se) cluster units are located in the middle of the edges and at the center of the faces of the cell. The [{Ni(NH3)6}]2+ cations are located at the center of the cubes of the a/2 edge. The dimers [Ni2(NH3)8]4+ are stabilized by hydrogen bonds between the cyanide ligands of the cluster unit and the hydrogen atoms of the ammonia molecules. Both compounds exhibit a weak antiferromagnetic coupling within the [Ni2(NH3)8]4+ dimer entities at low temperatures together with a paramagnetic behavior originating from the cations of the octahedral [{Ni(NH3)6}]2+ complexes.",

keywords = "MAIN-GROUP THERMOCHEMISTRY, BRIDGED RE(6)Q(8) Q, CRYSTAL-STRUCTURE, COORDINATION POLYMERS, DINUCLEAR COMPLEX, HYDROGEN-BOND, FRAMEWORK, EXCHANGE, SE, APPROXIMATION",

author = "Gilles Daigre and Karine Costuas and Tarasenko, {Maria S.} and Ledneva, {Alexandra Yu} and Naumov, {Nikolay G.} and Pierric Lemoine and Thierry Guizouarn and Yann Molard and Maria Amela-Cortes and Nathalie Audebrand and St{\'e}phane Cordier",

note = "Publisher Copyright: {\textcopyright} 2018 The Royal Society of Chemistry.",

year = "2018",

month = jan,

day = "1",

doi = "10.1039/c7dt02748f",

language = "English",

volume = "47",

pages = "1122--1130",

journal = "Dalton Transactions",

issn = "1477-9226",

publisher = "Royal Society of Chemistry",

number = "4",

}

RIS

TY - JOUR

T1 - Stabilization of Ni2+ dimers in hexacyano Mo6 cluster-based Prussian blue derivatives

T2 - Experimental and theoretical investigations of magnetic properties

AU - Daigre, Gilles

AU - Costuas, Karine

AU - Tarasenko, Maria S.

AU - Ledneva, Alexandra Yu

AU - Naumov, Nikolay G.

AU - Lemoine, Pierric

AU - Guizouarn, Thierry

AU - Molard, Yann

AU - Amela-Cortes, Maria

AU - Audebrand, Nathalie

AU - Cordier, Stéphane

PY - 2018/1/1

Y1 - 2018/1/1

N2 - Herein, two new octahedral molybdenum cyanide cluster compounds, namely [{Ni(NH3)6}4{Ni2(NH3)8}1][Mo6Br6Q2(CN)6]3·12H2O, Q = S (1) and Se (2), have been synthesized as single crystals by slow diffusion of a solution of nickel chloride into aqueous ammonia solutions of a K2Cs2[Mo6Br6Q2(CN)6] molybdenum cyanide cluster-based compound. Both 1 and 2 were structurally characterized by single-crystal X-ray diffraction. They are isostructural and crystallize in the cubic system (Im3m (no. 229); Z = 2, a = 18.147(1) Å, and V = 5976(1) Å3 and a = 18.188(2) Å and V = 6016(2) Å3 for 1 and 2, respectively). 1 and 2 are based on the association of [Mo6Bri 6Qi 2(CN)a 6]4- (Q = S, Se) cluster anions with Ni2+ dimer-based cubic [Ni2(NH3)8]4+ and octahedral [Ni(NH3)6]2+ cations. The structure is based on 2-fold interpenetrated [{Ni(NH3)6}4{Ni2(NH3)8}1][Mo6Br6Q2(CN)6]3 frameworks related to each other by [1/2, 1/2, 1/2] translation. The unit cell is based on a body-centered cubic framework of cubic [Ni2(NH3)8]4+. The [Mo6Bri 6Qi 2(CN)a 6]4- (Q = S, Se) cluster units are located in the middle of the edges and at the center of the faces of the cell. The [{Ni(NH3)6}]2+ cations are located at the center of the cubes of the a/2 edge. The dimers [Ni2(NH3)8]4+ are stabilized by hydrogen bonds between the cyanide ligands of the cluster unit and the hydrogen atoms of the ammonia molecules. Both compounds exhibit a weak antiferromagnetic coupling within the [Ni2(NH3)8]4+ dimer entities at low temperatures together with a paramagnetic behavior originating from the cations of the octahedral [{Ni(NH3)6}]2+ complexes.

AB - Herein, two new octahedral molybdenum cyanide cluster compounds, namely [{Ni(NH3)6}4{Ni2(NH3)8}1][Mo6Br6Q2(CN)6]3·12H2O, Q = S (1) and Se (2), have been synthesized as single crystals by slow diffusion of a solution of nickel chloride into aqueous ammonia solutions of a K2Cs2[Mo6Br6Q2(CN)6] molybdenum cyanide cluster-based compound. Both 1 and 2 were structurally characterized by single-crystal X-ray diffraction. They are isostructural and crystallize in the cubic system (Im3m (no. 229); Z = 2, a = 18.147(1) Å, and V = 5976(1) Å3 and a = 18.188(2) Å and V = 6016(2) Å3 for 1 and 2, respectively). 1 and 2 are based on the association of [Mo6Bri 6Qi 2(CN)a 6]4- (Q = S, Se) cluster anions with Ni2+ dimer-based cubic [Ni2(NH3)8]4+ and octahedral [Ni(NH3)6]2+ cations. The structure is based on 2-fold interpenetrated [{Ni(NH3)6}4{Ni2(NH3)8}1][Mo6Br6Q2(CN)6]3 frameworks related to each other by [1/2, 1/2, 1/2] translation. The unit cell is based on a body-centered cubic framework of cubic [Ni2(NH3)8]4+. The [Mo6Bri 6Qi 2(CN)a 6]4- (Q = S, Se) cluster units are located in the middle of the edges and at the center of the faces of the cell. The [{Ni(NH3)6}]2+ cations are located at the center of the cubes of the a/2 edge. The dimers [Ni2(NH3)8]4+ are stabilized by hydrogen bonds between the cyanide ligands of the cluster unit and the hydrogen atoms of the ammonia molecules. Both compounds exhibit a weak antiferromagnetic coupling within the [Ni2(NH3)8]4+ dimer entities at low temperatures together with a paramagnetic behavior originating from the cations of the octahedral [{Ni(NH3)6}]2+ complexes.

KW - MAIN-GROUP THERMOCHEMISTRY

KW - BRIDGED RE(6)Q(8) Q

KW - CRYSTAL-STRUCTURE

KW - COORDINATION POLYMERS

KW - DINUCLEAR COMPLEX

KW - HYDROGEN-BOND

KW - FRAMEWORK

KW - EXCHANGE

KW - SE

KW - APPROXIMATION

UR - http://www.scopus.com/inward/record.url?scp=85041116668&partnerID=8YFLogxK

U2 - 10.1039/c7dt02748f

DO - 10.1039/c7dt02748f

M3 - Article

C2 - 29265139

AN - SCOPUS:85041116668

VL - 47

SP - 1122

EP - 1130

JO - Dalton Transactions

JF - Dalton Transactions

SN - 1477-9226

IS - 4

ER -

ID: 12101549