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Preparation,Crystal Structure and Density Functional Theory Calculations of the Ion-pair Compound [Cl2Bz(3-MeQl)](TCNQ)
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作者 陈友存 王芳芳 +3 位作者 黄荣谊 王彦 汪快兵 孔学军 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2011年第1期79-84,共6页
A novel compound [Cl2Bz(3-MeQl) ](TCNQ) ([Cl2Bz(3-MeQl) ]^+ = 1-(3,4-dichlo-robenzyl) 3-methlquinoline cation,TCNQ-= 7,7,8,8-tetracyanoquinodimethanide anion) has been synthesized by the reaction of [Cl2Bz... A novel compound [Cl2Bz(3-MeQl) ](TCNQ) ([Cl2Bz(3-MeQl) ]^+ = 1-(3,4-dichlo-robenzyl) 3-methlquinoline cation,TCNQ-= 7,7,8,8-tetracyanoquinodimethanide anion) has been synthesized by the reaction of [Cl2Bz(3-MeQl) ]Br and LiTCNQ,and its structure was determined by single-crystal X-ray diffraction. The crystal belongs to monoclinic,space group P21/c. The structure analysis shows that the anions are stacked into a column with isolated π-dimers,and there is one type of TCNQ entries(TCNQ^-) ,in agreement with the IR spectra analysis and density functional theory calculations of the compound. The most prominent structural features are the completely segregated stacking columns of the TCNQ- anions and [Cl2Bz(3-MeQl)]+ cations. 展开更多
关键词 tcnq crystal structure ion-pair compound density functional theory
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Synthesis and Crystal Structure of a Novel Ion-pair Compound Consisting of 1-(4-Bromobenzyl)pyridinium Cation and 7,7,8,8-Tetracyanoquinodimethanide Anion
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作者 周红波 陈友存 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 北大核心 2008年第6期697-700,共4页
The title compound [BrBzPy][TCNQ] (BrBzPy^+=1-(4-bromobenzyl)pyridinium cation, TCNQ = 7,7,8,8-tetracyanoquinodimethanide anion) was synthesized by the reaction of [BrBzPy]Br and LiTCNQ in ethanol solution and it... The title compound [BrBzPy][TCNQ] (BrBzPy^+=1-(4-bromobenzyl)pyridinium cation, TCNQ = 7,7,8,8-tetracyanoquinodimethanide anion) was synthesized by the reaction of [BrBzPy]Br and LiTCNQ in ethanol solution and its structure was determined by single-crystal X-ray diffraction. The crystal belongs to monoclinic, space group P21/c with a = 14.067(3), b = 7.3089(14), c = 23.796(4)A, β = 122.011(9)°, V= 2074.6(7)A^3, Z = 4, C24H15BrN5, Mr = 453.32, Dc = 1.451 g/cm^3,μ = 2.002 mm^-1, S = 1.047, F(000) = 916, R = 0.0398 and wR = 0.0921. The most prominent structural features are the completely segregated stacking columns of the TCNQ- anions and [BrBzPy]^+ cations. In a TCNQ column, the centroid-to-centroid distances of the neighboring anions of TCNQ are 3.2693 and 4.9464 A, respectively. 展开更多
关键词 tcnq crystal structure ion-pair compound
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Synthesis and Crystal Structure of a Novel Ion-pair Compound Consisting of 1,3-Bis(4-cynobenzyl) Imidazole Cation and 7,7,8,8-Tetracyanoquinodimethanide Anion
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作者 陈友存 王芳芳 +1 位作者 王彦 汪快兵 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2010年第6期900-904,共5页
A novel compound [(CNBz)2Im]2(TCNQ)3(CH3CN)((CNBz)2Im = 1,3-bis(4-cyano-benzyl) imidazole cation,TCNQ-1 = 7,7,8,8-tetracyanoquinodimethanide anion) was synthesized by the reaction of [(CNBz)2Im]Br and Li... A novel compound [(CNBz)2Im]2(TCNQ)3(CH3CN)((CNBz)2Im = 1,3-bis(4-cyano-benzyl) imidazole cation,TCNQ-1 = 7,7,8,8-tetracyanoquinodimethanide anion) was synthesized by the reaction of [(CNBz)2Im]Br and LiTCNQ in water and its structure was determined by single-crystal X-ray diffraction.The crystal belongs to monoclinic,space group P21/c with a = 10.1823(17),b = 20.292(3),c = 16.952(3) ,β = 104.73(0)°,V = 3387.6(10)3,Z = 4,C39H24N11,Mr = 646.69,Dc = 1.268 g/cm3,μ = 0.080 mm-1 and F(000) = 1340.The structure was solved by direct methods and refined to R = 0.0596 and wR = 0.0911 for 2690 observed reflections(Ⅰ 〉 2σ(Ⅰ)).The most prominent structural feature is that there are two types of TCNQ entries(TCNQ-1 and TCNQ0) in agreement with the IR spectra analysis of the compound. 展开更多
关键词 tcnq crystal structure ion-pair compound
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Synthesis and Crystal Structure of an Ion-pair Compound: [H_2(teta)]^(2+)·[Ni(CN)_4]^(2-)·2H_2O (teta = Meso-5,7,7,12,14,14-hexamethyl- 1,4,8,11-tetraazacyclotetradecane)
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作者 丁建刚 耿飞 +1 位作者 李宝龙 张勇 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 北大核心 2006年第1期25-28,共4页
The ion-pair compound [H2(teta)]^2+·[Ni(CN)4]^2-·2H2O (C20H42N8NiO2, teta = meso- 5,7,7,12,14,14-hexamethyl- 1,4,8,11-tetraazacyclotetradecane) was synthesized and characterized by single-crystal X-ra... The ion-pair compound [H2(teta)]^2+·[Ni(CN)4]^2-·2H2O (C20H42N8NiO2, teta = meso- 5,7,7,12,14,14-hexamethyl- 1,4,8,11-tetraazacyclotetradecane) was synthesized and characterized by single-crystal X-ray diffraction. The crystal belongs to monoclinic, space group P211n with a = 10.0784(10), b = 9.5411(7), c = 14.1010(14)А, β= 106.752(2)°, V= 1298.4(2)A^3, Mr = 485.33, Z= 2, De= 1.241 g/cm^3,μ(MoKα) = 0.778 mm^-1 and F(000) = 524. The structure was refined to R = 0.0391 and wR = 0.0870 for 2614 observed reflections with I 〉 2σ(I). The title compound contains one [Ni(CN)4]^2- anion, one protonated macrocyclic tetraamine cation [H2(teta)]^2+ and two water molecules. There are multiform hydrogen bonds in the compound to link the different components and stabilize the crystal structure. 展开更多
关键词 crystal structure tetraazacyclotetradecane hydrogen bond ion-pair compound
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离子对化合物[(IBz)2Im](TCNQ)的合成与结构表征(英文)
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作者 陈友存 王芳芳 +1 位作者 王彦 汪快兵 《无机化学学报》 SCIE CAS CSCD 北大核心 2010年第6期1113-1116,共4页
A novel compound [(IBz)2Im](TCNQ) [(IBz)2Im=1,3-bis(4-iodobenzyl) imidazole cation, TCNQ-=7,7,8,8-tetracyanoquinodimethanide anion] was synthesized by the reaction of [(IBz)2Im]Br and LiTCNQ in CH3OH and its structure... A novel compound [(IBz)2Im](TCNQ) [(IBz)2Im=1,3-bis(4-iodobenzyl) imidazole cation, TCNQ-=7,7,8,8-tetracyanoquinodimethanide anion] was synthesized by the reaction of [(IBz)2Im]Br and LiTCNQ in CH3OH and its structure was determined by single-crystal X-ray diffraction. The crystal belongs to monoclinic, space group P21/c with a=1.147 35(18) nm, b=2.028 1(3) nm, c=1.264 1(2) nm, β=104.73(0)°, V=2.666(65) nm3, Z=4, C29H19I2N6, Mr= 705.30, Dc=1.757 g·cm-3, R1=0.053 2 and wR2=0.111 2. The structure analysis shows that the anions are stacked into column with isolated π-dimers, and there is one type of TCNQ entries (TCNQ-), in agreement with the IR spectra analysis of the compound. The most prominent structural features are the completely segregated stacking columns of the TCNQ-anions and [(IBz)2Im]+ cations. CCDC: 759523. 展开更多
关键词 tcnq 晶体结构 离子对化合物
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Synthesis and Structure of a Novel Ion-pair Palladium(Ⅱ) Compound Containing 2-Thioxo-1,3-dithiole-4,5-bis(thiolate)
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作者 黄荣谊 黄良芳 +2 位作者 徐衡 刘光祥 任小明 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 北大核心 2008年第12期1435-1438,共4页
A novel ion-pair palladium(Ⅱ) compound, (NOzBzPy)2[Pd(dmit)2] (NO2BzPy^+ = 1-(4-nitrobenzyl)pyridinium, dmit^2- = 2-thioxo-1,3-dithiole-4,5-bis(thiolate)), was synthesized and characterized by single-cry... A novel ion-pair palladium(Ⅱ) compound, (NOzBzPy)2[Pd(dmit)2] (NO2BzPy^+ = 1-(4-nitrobenzyl)pyridinium, dmit^2- = 2-thioxo-1,3-dithiole-4,5-bis(thiolate)), was synthesized and characterized by single-crystal X-ray structure determination. This compound crystallizes in the monoclinic system, space group P21/n with a = 10.4463(11), b = 8.5627(9), e = 20.017(2)A, β = 97.7730(10)°, V = 1774.1(3)A^3, Z = 2, C30H22N4O4S10Pd, Mr = 929.52, Dc = 1.740 g/cm^3,μ = 1.155 mm^-1, S = 1.006, F(000) = 936, R = 0.0354 and wR = 0.0675. The most intriguing general structural feature of the compound is the completely segregated columnar stacks of anions and cations. There exist hydrogen-bonding interactions within the cation column. 展开更多
关键词 DMIT crystal structure Pd(Ⅱ) ion-pair compound
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基于7,7,8,8-四氰基对醌二甲烷-氯化锰反应的二价锰配合物的合成,晶体结构和磁性(英文)
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作者 王百木 展树中 《化学研究》 CAS 2011年第5期11-18,37,共9页
以氯化锰、双二苯基膦酸甲烷(dppm)及7,7,8,8-四氰基对醌二甲烷(TCNQ)为原料,合成了标题化合物[Mn(dppmdo)_3][(TCNQ)(DCBE)]1;利用X射线衍射、红外光谱、紫外-可见-近红外光谱和循环伏安等技术对合成产物进行了表征.结果表明,化合物1... 以氯化锰、双二苯基膦酸甲烷(dppm)及7,7,8,8-四氰基对醌二甲烷(TCNQ)为原料,合成了标题化合物[Mn(dppmdo)_3][(TCNQ)(DCBE)]1;利用X射线衍射、红外光谱、紫外-可见-近红外光谱和循环伏安等技术对合成产物进行了表征.结果表明,化合物1在近红外区发生配体TCNQ之间的电子转移(TCNQ/TCNQ^-).化合物1中的TCNQ比游离态的TCNQ分子更容易被还原.室温下,化合物1的有效磁矩(12.7μB)远高于预期的由一个高自旋Mn^(2+)离子(S=5/2)、一个TCNQ(S=1/2)阴离子及一个DCBE(S=1/2)阴离子组成基团的有效磁矩(4.58μB),表明它们之间存在着很强的磁相互作用. 展开更多
关键词 电荷转移化合物 二价锰配合物 tcnq 晶体结构 磁性能
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