Design of a magnetic bistability molecular system constructed by H-bonding and π⋯π-stacking interactions

X. M. Ren; S. Nishihara; T. Akutagawa; S. Noro; T. Nakamura

doi:10.1021/ic051563k

Design of a magnetic bistability molecular system constructed by H-bonding and π⋯π-stacking interactions

X. M. Ren, S. Nishihara, T. Akutagawa, S. Noro, T. Nakamura

IMRAM - Materials-Measurement Hybrid Research Center

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

62 Citations (Scopus)

Abstract

Crystal structures and magnetic properties were determined for two novel polymorphs of the complex [H₂DABCO]-[Ni(mnt)₂] [(H ₂DABCO)²⁺ = diprotonated 1,4-diazabicyclo[2.2.2]octane; mnt^2- = maleonitriledithiolate]. For each polymorph, anions form a layered structure in which two kinds of dimers were observed. The adjacent anionic sheets are held together by cations via H-bonding interactions between protons of cations and CN groups of anions. Two polymorphs possess spin bistability; namely, upon cooling, a magnetic transition happens at around 120 K with about 1 K hysteresis on heating for the α phase and at 112 K with about 10 K hysteresis for the β phase. Above the transition, the magnetic behaviors of two polymorphs can be approximately interpreted by a singlet-triplet model of an antiferromagnetically coupled S = 1/2 dimer, which is supported by the crystal structures and spin dimer analyses based on extended Hückel molecular orbital calculations.

Original language	English
Pages (from-to)	2229-2234
Number of pages	6
Journal	Inorganic Chemistry
Volume	45
Issue number	5
DOIs	https://doi.org/10.1021/ic051563k
Publication status	Published - 2006 Mar 6

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title = "Design of a magnetic bistability molecular system constructed by H-bonding and π⋯π-stacking interactions",

abstract = "Crystal structures and magnetic properties were determined for two novel polymorphs of the complex [H2DABCO]-[Ni(mnt)2] [(H 2DABCO)2+ = diprotonated 1,4-diazabicyclo[2.2.2]octane; mnt2- = maleonitriledithiolate]. For each polymorph, anions form a layered structure in which two kinds of dimers were observed. The adjacent anionic sheets are held together by cations via H-bonding interactions between protons of cations and CN groups of anions. Two polymorphs possess spin bistability; namely, upon cooling, a magnetic transition happens at around 120 K with about 1 K hysteresis on heating for the α phase and at 112 K with about 10 K hysteresis for the β phase. Above the transition, the magnetic behaviors of two polymorphs can be approximately interpreted by a singlet-triplet model of an antiferromagnetically coupled S = 1/2 dimer, which is supported by the crystal structures and spin dimer analyses based on extended H{\"u}ckel molecular orbital calculations.",

author = "Ren, {X. M.} and S. Nishihara and T. Akutagawa and S. Noro and T. Nakamura",

year = "2006",

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doi = "10.1021/ic051563k",

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T1 - Design of a magnetic bistability molecular system constructed by H-bonding and π⋯π-stacking interactions

AU - Ren, X. M.

AU - Nishihara, S.

AU - Akutagawa, T.

AU - Noro, S.

AU - Nakamura, T.

PY - 2006/3/6

Y1 - 2006/3/6

N2 - Crystal structures and magnetic properties were determined for two novel polymorphs of the complex [H2DABCO]-[Ni(mnt)2] [(H 2DABCO)2+ = diprotonated 1,4-diazabicyclo[2.2.2]octane; mnt2- = maleonitriledithiolate]. For each polymorph, anions form a layered structure in which two kinds of dimers were observed. The adjacent anionic sheets are held together by cations via H-bonding interactions between protons of cations and CN groups of anions. Two polymorphs possess spin bistability; namely, upon cooling, a magnetic transition happens at around 120 K with about 1 K hysteresis on heating for the α phase and at 112 K with about 10 K hysteresis for the β phase. Above the transition, the magnetic behaviors of two polymorphs can be approximately interpreted by a singlet-triplet model of an antiferromagnetically coupled S = 1/2 dimer, which is supported by the crystal structures and spin dimer analyses based on extended Hückel molecular orbital calculations.

AB - Crystal structures and magnetic properties were determined for two novel polymorphs of the complex [H2DABCO]-[Ni(mnt)2] [(H 2DABCO)2+ = diprotonated 1,4-diazabicyclo[2.2.2]octane; mnt2- = maleonitriledithiolate]. For each polymorph, anions form a layered structure in which two kinds of dimers were observed. The adjacent anionic sheets are held together by cations via H-bonding interactions between protons of cations and CN groups of anions. Two polymorphs possess spin bistability; namely, upon cooling, a magnetic transition happens at around 120 K with about 1 K hysteresis on heating for the α phase and at 112 K with about 10 K hysteresis for the β phase. Above the transition, the magnetic behaviors of two polymorphs can be approximately interpreted by a singlet-triplet model of an antiferromagnetically coupled S = 1/2 dimer, which is supported by the crystal structures and spin dimer analyses based on extended Hückel molecular orbital calculations.

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JO - Inorganic Chemistry

JF - Inorganic Chemistry

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Design of a magnetic bistability molecular system constructed by H-bonding and π⋯π-stacking interactions

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