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A Novel Binuclear Cu(Ⅱ) Complex with nitroxide radicals Exhibiting Ferromagnetic Interactions

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Chinese Journal of Structural Chemistry 2012年第1期31卷 39-44页

作者：刘尚远陈毅雯高东昭 Tianjin Key Laboratory of Structure and Performance for Functional Molecule College of ChemistryTianjin Normal University

A new binuclear Cu（Ⅱ） complex with nitronyl nitroxide radicals [Cu（NIT3Py）2Cl2]2（NIT3Py = 2-（3＇-pyridinyl）-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide） has been synthesized and structurally characterized by X-ray diffraction *** crystallizes in monoclinic,space group C2/c with a = 38.483（4）,b = 7.2450（8）,c = 27.559（3） ,β = 134.0180（10）°,V = 5525.6（10） 3,C48H64Cl4Cu2N12O8,Mr = 1206.00,Z = 4,Dc = 1.450 g/cm3,μ（MoKα） = 1.025 mm-1,F（000） = 2504,S = 1.066,the final R = 0.0471 and wR = 0.1121 for 3286 observed reflections（I 2σ（I））.The title complex consists of centrosymmetric dinuclear units [Cu（NIT3Py）2Cl2]2,in which the copper ions are square-pyramidally coordinated by two pyridyl nitrogen atoms of two radical ligands and three chlorine anions,two of which bridge the copper *** magnetic measurements show ferromagnetic interactions between the copper ions and the radical ligands.

关键词： Cu(Ⅱ) complex nitroxide radical crystal structure ferromagnetic interaction

Halogen Bonding or Hydrogen Bonding between 2,2,6,6-Tetramethyl- piperidine-noxyl radical and Trihalomethanes CHX3 （X=CI, Br, I）

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Chinese Journal of Chemical Physics 2013年第2期26卷 172-180,I0003页

作者：赵晓冉庞雪阎晓青晋卫军北京师范大学化学学院北京100875

The halogen and hydrogen bonding complexes and trihalomethanes （CHX3, X=C1, Br, I） are between 2,2,6,6-tetramethylpiperidine-noxyl simulated by computational quantum chem- istry. The molecular electrostatic potentials, geometrical parameters and interaction energy of halogen and hydrogen bonding complexes combined with natural bond orbital analysis are obtained. The results indicate that both halogen and hydrogen bonding interactions obey the order CI〈Br〈I, and hydrogen bonding is stronger than the corresponding halogen bond- ing. So, hydrogen bonding complexes should be dominant in trihalomethanes. However, it is possible that halogen bonding complex is competitive, even preponderant, in triiodomethane due to the similar interaction energy. This work might provide useful information on specific solvent effects as well as for understanding the mechanism of nitroxide radicals as a bioprobe to interact with the halogenated compounds in biological and biochemical fields.

关键词： Halogen bonding Hydrogen bonding Theoretical study nitroxide radical Natural bond orbital

Synthesis and Crystal Structure of 4-Azido-2,2,6,6-Tetramethylpiperidine-1-oxyl Free radical

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Chinese Journal of Structural Chemistry 2006年第2期25卷 127-130页

作者： ZHOU Bao-Han CHEN Yun-Feng YIN Guo-Dong WU An-Xin Key Laboratory of Pesticide and Chemical Biology Ministry of Education College of Chemistry Central China Normal University Wuhan 430079 China

The title compound 4-azido-2,2,6,6-tetramethylpiperidine-l-oxyl （C9H17N4O, Mr = 197.27） has been synthesized and its structure was determined by single-crystal X-ray diffraction. The crystal belongs to triclinic, space group P1^- with a = 5.8464（12）, b = 8.2476（17）, c = 11.954（2） A°, a = 101.973（4）, β = 97.186（3）, γ, = 100.232（3）°, V = 546.98（19） ,A°^3, Z = 2, Dc= 1.198 g/cm^3, μ（MoKa） = 0.082 mm^-1, F（000） = 214, R = 0.0495 and wR = 0.1355 for 1677 observed reflections with I 〉 2σ（I）. X-ray analysis reveals that the six-membered ring adopts a chair conformation and the bond length of N（1）-O（1） is 1.2838（19）A°.

关键词： crystal structure nitroxide radical synthesis

Bis-radicals (nitronyl nitroxide and imino nitroxide) Substituted Benzene with Long Alkyl Chain: Synthesis, Magnetic Study and Formation of LB film

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Chinese Chemical Letters 1999年第8期10卷 685-688页

作者： De Qing ZHANG Liang DING Yu XU Dao Ben ZHU (Organic Solids Laboratory, Institute of Chemistry. Chinese Academy of Sciences. Beijing 100080) Organic Solids Laboratory Institute of Chemistry Chinese Academy of Sciences

The titled compound 1 as well as compounds 2 and 3 with similar chemical structures were prepared and characterized. The magnetic properties of 1 were investigated with SQUID (MPMS, quantum design) magnetometer. Studies with Langmuir-Blodgett (LB) technique indicated that stable condensed film of 1 could be formed at air-water interface and could be transferred onto various solid substrate under suitable conditions.

关键词： nitroxide radical organic ferromagnetism magnetic properties LB film

Crystal structure of[NITpPy]+ClO4-(NITpPy=2-（4'-pyridyl）-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide

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Crystal structure of[NITpPy]+ClO4-(NITpPy=2-（4'-pyridyl）-4...

Crystal structures and magnetic behaviours of two new azido-bridged dinuclear copper（Ⅱ） and cobalt（Ⅱ） complexes with imino nitroxides

中国化学会2005年中西部十五省（区）、市无机化学化工学术交流会

作者： Liya Wang, Jiuli Chang (Department of Chemistry, Luoyang Teacher's College, Luoyang 471022, P. R. China)

The crystal structure of [NITpPy] +C1O4- (NITpPy =2-(4'-pyridyl)-4.4,5,5-tetramethylimidazoline-1-oxyl-3-oxide) is monoclinic system, space C2 with a=11.872(2) A, b=14.899(3) A, c=10.553(2) A, P= 124.12(3)°, V= 1545.2(5)A3, Z= 8. The final R value is 0.0479 for 2563 reflections (I>2σ(I)). The [NITpPy]+ cation is involved in hydrogen bonding, acting as a donor with with an O atom of a perchlorate ion as an acceptor.

关键词： crystal structure nitroxide radical perchlorate ion

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Crystal structures and magnetic behaviours of two new azido-...