Very strong antiferromagnetic coupling interaction in (TCNQ) 22- spin dimers H-bonding molecular magnetic compound

Guo Jun Yuan; Shun Ping Zhao; Xiao Ming Ren; Qing Jin Meng; Chen Tie Fang

Very strong antiferromagnetic coupling interaction in (TCNQ) ₂^2- spin dimers H-bonding molecular magnetic compound

Guo Jun Yuan, Shun Ping Zhao, Xiao Ming Ren, Qing Jin Meng, Chen Tie Fang

School of Chemistry and Moleculai Engineering

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

Abstract

An ion-pair type of hydrogen bonding molecular magnetic compound was prepared by means of combining the paramagnetic TCNQ^- (TCNQ=7,7,8,8-tetracyanoquinodimethane) and nonmagnetic 4-aminopyridinium. The single crystal structure of the title compound shows two TCNQ^- anions form an isolated -type (TCNQ)₂^2- dimer, and the adjacent (TCNQ)₂^2- dimers are connected by 4-aminopyridinium via strong hydrogen-bonding. The variable temperature magnetic susceptibility measurement in the temperature range of 2∼ 400 K indicates diamagnetism characteristics of the compound. The magnetic coupling constants between the neighboring TCNQ^- anions were evaluated by the broken-symmetry approach in the density functional theory (DFT) framework. The results reveal that the strong antiferromagnetic coupling interaction (J/k_B ≈ 1805 K) within the π-type (TCNQ)₂^2- dimer gives rise to the diamagnetism behavior for this ion-pair compound.

Original language	English
Pages (from-to)	167-173
Number of pages	7
Journal	Chinese Journal of Inorganic Chemistry
Volume	27
Issue number	1
State	Published - Jan 2011

Keywords

Broken-symmetry
Crystal structure
DFT calculation
Ion pairs
Magnetic property

Cite this

@article{531f2038cafb433ab3ffca8dc44b4e43,

title = "Very strong antiferromagnetic coupling interaction in (TCNQ) 22- spin dimers H-bonding molecular magnetic compound",

abstract = "An ion-pair type of hydrogen bonding molecular magnetic compound was prepared by means of combining the paramagnetic TCNQ- (TCNQ=7,7,8,8-tetracyanoquinodimethane) and nonmagnetic 4-aminopyridinium. The single crystal structure of the title compound shows two TCNQ- anions form an isolated -type (TCNQ)22- dimer, and the adjacent (TCNQ)22- dimers are connected by 4-aminopyridinium via strong hydrogen-bonding. The variable temperature magnetic susceptibility measurement in the temperature range of 2∼ 400 K indicates diamagnetism characteristics of the compound. The magnetic coupling constants between the neighboring TCNQ- anions were evaluated by the broken-symmetry approach in the density functional theory (DFT) framework. The results reveal that the strong antiferromagnetic coupling interaction (J/kB ≈ 1805 K) within the π-type (TCNQ)22- dimer gives rise to the diamagnetism behavior for this ion-pair compound.",

keywords = "Broken-symmetry, Crystal structure, DFT calculation, Ion pairs, Magnetic property",

author = "Yuan, {Guo Jun} and Zhao, {Shun Ping} and Ren, {Xiao Ming} and Meng, {Qing Jin} and Fang, {Chen Tie}",

year = "2011",

month = jan,

language = "英语",

volume = "27",

pages = "167--173",

journal = "Chinese Journal of Inorganic Chemistry",

issn = "1001-4861",

publisher = "Chinese Chemical Society",

number = "1",

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TY - JOUR

T1 - Very strong antiferromagnetic coupling interaction in (TCNQ) 22- spin dimers H-bonding molecular magnetic compound

AU - Yuan, Guo Jun

AU - Zhao, Shun Ping

AU - Ren, Xiao Ming

AU - Meng, Qing Jin

AU - Fang, Chen Tie

PY - 2011/1

Y1 - 2011/1

N2 - An ion-pair type of hydrogen bonding molecular magnetic compound was prepared by means of combining the paramagnetic TCNQ- (TCNQ=7,7,8,8-tetracyanoquinodimethane) and nonmagnetic 4-aminopyridinium. The single crystal structure of the title compound shows two TCNQ- anions form an isolated -type (TCNQ)22- dimer, and the adjacent (TCNQ)22- dimers are connected by 4-aminopyridinium via strong hydrogen-bonding. The variable temperature magnetic susceptibility measurement in the temperature range of 2∼ 400 K indicates diamagnetism characteristics of the compound. The magnetic coupling constants between the neighboring TCNQ- anions were evaluated by the broken-symmetry approach in the density functional theory (DFT) framework. The results reveal that the strong antiferromagnetic coupling interaction (J/kB ≈ 1805 K) within the π-type (TCNQ)22- dimer gives rise to the diamagnetism behavior for this ion-pair compound.

AB - An ion-pair type of hydrogen bonding molecular magnetic compound was prepared by means of combining the paramagnetic TCNQ- (TCNQ=7,7,8,8-tetracyanoquinodimethane) and nonmagnetic 4-aminopyridinium. The single crystal structure of the title compound shows two TCNQ- anions form an isolated -type (TCNQ)22- dimer, and the adjacent (TCNQ)22- dimers are connected by 4-aminopyridinium via strong hydrogen-bonding. The variable temperature magnetic susceptibility measurement in the temperature range of 2∼ 400 K indicates diamagnetism characteristics of the compound. The magnetic coupling constants between the neighboring TCNQ- anions were evaluated by the broken-symmetry approach in the density functional theory (DFT) framework. The results reveal that the strong antiferromagnetic coupling interaction (J/kB ≈ 1805 K) within the π-type (TCNQ)22- dimer gives rise to the diamagnetism behavior for this ion-pair compound.

KW - Broken-symmetry

KW - Crystal structure

KW - DFT calculation

KW - Ion pairs

KW - Magnetic property

UR - http://www.scopus.com/inward/record.url?scp=78651231674&partnerID=8YFLogxK

M3 - 文章

AN - SCOPUS:78651231674

SN - 1001-4861

VL - 27

SP - 167

EP - 173

JO - Chinese Journal of Inorganic Chemistry

JF - Chinese Journal of Inorganic Chemistry

IS - 1

ER -

Very strong antiferromagnetic coupling interaction in (TCNQ) ₂^2- spin dimers H-bonding molecular magnetic compound

Abstract

Keywords

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