3D molecular network and magnetic ordering, formed by multi-dentate magnetic couplers, bis(benzene)chromium(i) and [1,2,5]thiadiazolo[3,4-

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3D molecular network and magnetic ordering, formed by multi-dentate magnetic couplers, bis(benzene)chromium(i) and [1,2,5]thiadiazolo[3,4- : C] [1,2,5]thiadiazolidyl. / Shuku, Yoshiaki; Hirai, Yuta; Semenov, Nikolay A. et al.

In: Dalton Transactions, Vol. 47, No. 29, 07.08.2018, p. 9897-9902.

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

BibTeX

@article{8bc5c6f6f86e49f9ad29689cd04c3bf5,

title = "3D molecular network and magnetic ordering, formed by multi-dentate magnetic couplers, bis(benzene)chromium(i) and [1,2,5]thiadiazolo[3,4-: C] [1,2,5]thiadiazolidyl",

abstract = "The reaction between bis(benzene)chromium(0), Cr0(C6H6)2, and [1,2,5]thiadiazolo[3,4-c][1,2,5]thiadiazole (abbreviated as TDTD) formed single crystals of the 1:1 salt, [CrI(C6H6)2]+[TDTD]-. The crystal structure of [Cr(C6H6)2][TDTD] belongs to the monoclinic P21/c space group, and involves a CdSO4-type network (or quartz dual net), which is formed by CH⋯N hydrogen bonds between [Cr(C6H6)2]+ (S = 1/2) and [TDTD]- (S = 1/2). In addition to this network, the two components form an alternating chain crystal with a π-π overlap along the [110] and [110] directions. The theoretical calculations for the pairwise intermolecular magnetic exchange interactions in [Cr(C6H6)2][TDTD] reveal the presence of 3D interactions, ranging from an antiferromagnetic interaction of -8.96 cm-1 to a ferromagnetic one of 1.70 cm-1. The temperature dependence of the paramagnetic susceptibility χp indicates the dominance of an antiferromagnetic interaction with a negative Weiss constant of -4.8 K and a magnetic ordering at 8 K, which can be characterized in terms of weak ferromagnetism.",

keywords = "HEAVY-ATOM RADICALS, THIAZYL RADICALS, ELECTRICAL-PROPERTIES, WEAK FERROMAGNETISM, CRYSTAL-STRUCTURES, HETEROSPIN S-1, COMPLEXES, SALTS, ANION, STATE",

author = "Yoshiaki Shuku and Yuta Hirai and Semenov, {Nikolay A.} and Evgeny Kadilenko and Gritsan, {Nina P.} and Zibarev, {Andrey V.} and Rakitin, {Oleg A.} and Kunio Awaga",

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

year = "2018",

month = aug,

day = "7",

doi = "10.1039/c8dt02214c",

language = "English",

volume = "47",

pages = "9897--9902",

journal = "Dalton Transactions",

issn = "1477-9226",

publisher = "Royal Society of Chemistry",

number = "29",

}

RIS

TY - JOUR

T1 - 3D molecular network and magnetic ordering, formed by multi-dentate magnetic couplers, bis(benzene)chromium(i) and [1,2,5]thiadiazolo[3,4-

T2 - C] [1,2,5]thiadiazolidyl

AU - Shuku, Yoshiaki

AU - Hirai, Yuta

AU - Semenov, Nikolay A.

AU - Kadilenko, Evgeny

AU - Gritsan, Nina P.

AU - Zibarev, Andrey V.

AU - Rakitin, Oleg A.

AU - Awaga, Kunio

PY - 2018/8/7

Y1 - 2018/8/7

N2 - The reaction between bis(benzene)chromium(0), Cr0(C6H6)2, and [1,2,5]thiadiazolo[3,4-c][1,2,5]thiadiazole (abbreviated as TDTD) formed single crystals of the 1:1 salt, [CrI(C6H6)2]+[TDTD]-. The crystal structure of [Cr(C6H6)2][TDTD] belongs to the monoclinic P21/c space group, and involves a CdSO4-type network (or quartz dual net), which is formed by CH⋯N hydrogen bonds between [Cr(C6H6)2]+ (S = 1/2) and [TDTD]- (S = 1/2). In addition to this network, the two components form an alternating chain crystal with a π-π overlap along the [110] and [110] directions. The theoretical calculations for the pairwise intermolecular magnetic exchange interactions in [Cr(C6H6)2][TDTD] reveal the presence of 3D interactions, ranging from an antiferromagnetic interaction of -8.96 cm-1 to a ferromagnetic one of 1.70 cm-1. The temperature dependence of the paramagnetic susceptibility χp indicates the dominance of an antiferromagnetic interaction with a negative Weiss constant of -4.8 K and a magnetic ordering at 8 K, which can be characterized in terms of weak ferromagnetism.

AB - The reaction between bis(benzene)chromium(0), Cr0(C6H6)2, and [1,2,5]thiadiazolo[3,4-c][1,2,5]thiadiazole (abbreviated as TDTD) formed single crystals of the 1:1 salt, [CrI(C6H6)2]+[TDTD]-. The crystal structure of [Cr(C6H6)2][TDTD] belongs to the monoclinic P21/c space group, and involves a CdSO4-type network (or quartz dual net), which is formed by CH⋯N hydrogen bonds between [Cr(C6H6)2]+ (S = 1/2) and [TDTD]- (S = 1/2). In addition to this network, the two components form an alternating chain crystal with a π-π overlap along the [110] and [110] directions. The theoretical calculations for the pairwise intermolecular magnetic exchange interactions in [Cr(C6H6)2][TDTD] reveal the presence of 3D interactions, ranging from an antiferromagnetic interaction of -8.96 cm-1 to a ferromagnetic one of 1.70 cm-1. The temperature dependence of the paramagnetic susceptibility χp indicates the dominance of an antiferromagnetic interaction with a negative Weiss constant of -4.8 K and a magnetic ordering at 8 K, which can be characterized in terms of weak ferromagnetism.

KW - HEAVY-ATOM RADICALS

KW - THIAZYL RADICALS

KW - ELECTRICAL-PROPERTIES

KW - WEAK FERROMAGNETISM

KW - CRYSTAL-STRUCTURES

KW - HETEROSPIN S-1

KW - COMPLEXES

KW - SALTS

KW - ANION

KW - STATE

UR - http://www.scopus.com/inward/record.url?scp=85050818654&partnerID=8YFLogxK

U2 - 10.1039/c8dt02214c

DO - 10.1039/c8dt02214c

M3 - Article

C2 - 29998254

AN - SCOPUS:85050818654

VL - 47

SP - 9897

EP - 9902

JO - Dalton Transactions

JF - Dalton Transactions

SN - 1477-9226

IS - 29

ER -

ID: 15964831

3D molecular network and magnetic ordering, formed by multi-dentate magnetic couplers, bis(benzene)chromium(i) and [1,2,5]thiadiazolo[3,4-: C] [1,2,5]thiadiazolidyl

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