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Magnetic and Optical Properties of Layered (Me4P+)[MIVO(Pc•3–)]•–(TPC)0.5·C6H4Cl2 Salts (M = Ti and V) Composed of π-Stacking Dimers of Titanyl and Vanadyl Phthalocyanine Radical Anions
Crystal Growth & Design ( IF 3.2 ) Pub Date : 2017-01-11 00:00:00 , DOI: 10.1021/acs.cgd.6b01612
Dmitri V. Konarev 1 , Yoshiaki Nakano 2, 3 , Salavat S. Khasanov 4 , Alexey V. Kuzmin 4 , Manabu Ishikawa 2, 3 , Akihiro Otsuka 2, 3 , Hideki Yamochi 2, 3 , Gunzi Saito 5, 6 , Rimma N. Lyubovskaya 1
Crystal Growth & Design ( IF 3.2 ) Pub Date : 2017-01-11 00:00:00 , DOI: 10.1021/acs.cgd.6b01612
Dmitri V. Konarev 1 , Yoshiaki Nakano 2, 3 , Salavat S. Khasanov 4 , Alexey V. Kuzmin 4 , Manabu Ishikawa 2, 3 , Akihiro Otsuka 2, 3 , Hideki Yamochi 2, 3 , Gunzi Saito 5, 6 , Rimma N. Lyubovskaya 1
Affiliation
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Two isostructural salts with radical anions of titanyl and vanadyl phthalocyanines (Me4P+)[MIVO(Pc•3–)]•–(TPC)0.5·C6H4Cl2 (M = Ti (1), V (2)), where TPC is triptycene, were obtained. These salts contain phthalocyanine layers composed of the {[MIVO(Pc•3–)]•–}2 dimers with strong π–π intradimer interaction. The reduction of metal phthalocyanines was centered on the Pc macrocycles providing the appearance of new bands in the near infrared range and a blue shift of Q- and Soret bands. That results in the alternation of shorter and longer C–Nimine bonds in Pc•3–. Only one S = 1/2 spin is delocalized over Pc•3– in 1 providing a χMT value of 0.364 emu K mol–1 at 300 K. Salt 1 showed antiferromagnetic behavior approximated by the Heisenberg model for isolated pairs of antiferromagnetically interacting spins with exchange interaction of J/kB = −123.0 K. The χMT value for 2 is equal to 0.617 emu K mol–1 at 300 K to show the contribution of two S = 1/2 spins localized on VIV and delocalized over Pc•3–. Magnetic behavior of 2 is described by the Heisenberg model for a four-spin system with strong intermolecular coupling between Pc•3– in {[VIVO(Pc•3–)]•–}2 (Jinter/kB = −105.0 K) and weaker intramolecular coupling between the VIV and Pc•3– (Jintra/kB = −15.2 K).
中文翻译：
π堆积二聚体组成的层状（Me 4 P +）[M IV O（Pc •3–）] •–（TPC）0.5 ·C 6 H 4 Cl 2盐（M = Ti和V）的磁性和光学性质钛和钒基酞菁自由基阴离子
钛氧烷基和钒氧酞菁的两个阴离子的同构结构盐（Me 4 P +）[M IV O（Pc •3–）] •–（TPC）0.5 ·C 6 H 4 Cl 2（M = Ti（1），V （2）），其中TPC是三茂铁。这些盐包含由{[M IV O（Pc •3–）] •– } 2组成的酞菁层。具有强烈的π-π二聚体内相互作用的二聚体。金属酞菁的还原集中在Pc大环上，提供了近红外范围内的新谱带外观以及Q和Soret谱带的蓝移。这导致Pc •3–中较短和较长的C–N亚胺键交替出现。只有一个小号= 1/2自旋离域在PC •3-在1提供χ中号Ť的0.364值鸸鹋ķ摩尔-1在300K盐1表明由海森堡模型近似反铁磁行为分离对反铁磁性地相互作用随着J / k的交换相互作用旋转。乙= -123.0 K的χ中号Ť为值2等于0.617鸸鹋ķ摩尔-1，在300°K表现出的两个贡献小号= 1/2自旋局部开V IV和离域在PC •3-。的磁特性2由海森堡模型描述用于四自旋系统与PC之间强的分子间耦合•3-在{[V IV O（PC •3- ）] • - } 2（Ĵ帧间/ ķ乙= - 105.0 K）和V IV与Pc之间的分子内偶联较弱•3–（J帧内/ k B = -15.2 K）。
更新日期：2017-01-11
中文翻译：
π堆积二聚体组成的层状（Me 4 P +）[M IV O（Pc •3–）] •–（TPC）0.5 ·C 6 H 4 Cl 2盐（M = Ti和V）的磁性和光学性质钛和钒基酞菁自由基阴离子
钛氧烷基和钒氧酞菁的两个阴离子的同构结构盐（Me 4 P +）[M IV O（Pc •3–）] •–（TPC）0.5 ·C 6 H 4 Cl 2（M = Ti（1），V （2）），其中TPC是三茂铁。这些盐包含由{[M IV O（Pc •3–）] •– } 2组成的酞菁层。具有强烈的π-π二聚体内相互作用的二聚体。金属酞菁的还原集中在Pc大环上，提供了近红外范围内的新谱带外观以及Q和Soret谱带的蓝移。这导致Pc •3–中较短和较长的C–N亚胺键交替出现。只有一个小号= 1/2自旋离域在PC •3-在1提供χ中号Ť的0.364值鸸鹋ķ摩尔-1在300K盐1表明由海森堡模型近似反铁磁行为分离对反铁磁性地相互作用随着J / k的交换相互作用旋转。乙= -123.0 K的χ中号Ť为值2等于0.617鸸鹋ķ摩尔-1，在300°K表现出的两个贡献小号= 1/2自旋局部开V IV和离域在PC •3-。的磁特性2由海森堡模型描述用于四自旋系统与PC之间强的分子间耦合•3-在{[V IV O（PC •3- ）] • - } 2（Ĵ帧间/ ķ乙= - 105.0 K）和V IV与Pc之间的分子内偶联较弱•3–（J帧内/ k B = -15.2 K）。
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