With 2 - Substituent - 1, 10 - Adjacent Brown's Lin For Ligand Coordination Compound Synthesis, Characterization And Magnetic Coupling Mechanism Research

For over three decades, the study on magnetic properties of molecule-basedcompounds has been one of the hotspots in the research fields of materialchemistry and magnetic chemistry. It was mainly centred on the correlationfactors between magnetic coupling properties and molecular structures formulti-nuclear complexes. Though intermolecular force plays a key role inmolecular magnetic interaction, the papers that deal with the magneticcoupling through intermolecular force are relatively less. It is far to understandthe relevant magnetic coupling mechanism thoroughly and we have a lot ofwork to do.In this dissertation, six kinds of2-substituent-1,10-phenanthroline compoundshave been synthesized, namely,2-（4-methyl-pyrazole-1H-yl）-1,10-phenanthroline （L₁）,2-（N,N-dimethylamino）-1,10-phenanthroline （L₂）,2-（3-amine-pyrazol-1H-yl）-1,10-phenanthroline （L₃）,2-（2-hydroxy-ethoxy）-1,10-phenanthroline （L₄）,2-（3-methyl-pyrazole-1H-yl）-1,10-phenanthroline （L₅） and2-（1,2,3-1H-triazol-1-yl）-1,10-phenanthroline （L₆）, and ten novel transitionalmetal complexes have been synthesized with the six compounds as ligands,namely, binuclear Cu^IIcomplex [Cu₂（μ₁,1-N₃）₂（L₁）₂（ClO₄）₂]（1）, mononuclearCu^IIcomplex [Cu（L₂）Cl₂]（2）, mononuclear Cu^IIcomplex [Cu（L₃）Br₂]（3）,mononuclear Cu^IIcomplex [Cu（L₄）₂N₃]（ClO₄）（4）, mononuclear Cu^IIcomplex[Cu（L₅）（NO₂）（H₂O）]（ClO₄）（5）, mononuclear Cu^IIcomplex [Cu（NCS）₂（_L6）]（6）,one-dimensional Cu^IIchain complex {[Cu（L₁）Br]（ClO₄）}n（7）、mononuclear Mn^IIcomplex [Mn（L₆）Cl₂]（CH₃CN）（8）, mononuclear Cu^IIcomplex [Cu（L₅）（SO₄）（H₂O）]（H₂O）2（9） and binuclear CuIcomplex [Cu₂（μ2-I）2（L₆）2]（10）.The ten complexes were characterized with infrared spectrum and their singlecrystal structures were determined by X-ray diffraction. The variable-temperature magnetic susceptibility measurement for complex （7） wasperformed, and the magnetic coupling magnitude for the complex was obtained by fitting for the data of the magnetic susceptibility. Meanwhile thetheoretical calculations for complexes （1）,（2）,（3）,（4）,（5）,（6） and （8） dealingwith Ï€-Ï€ stacking and hydrogen bond magnetic coupling pathways wereperformed, which gave the information involving the spin density, the magneticcoupling sign and the magnetic coupling magnitude of the relevant magneticcoupling pathways.The obtained information in this dissertation may benefit to further understandthe magnetic coupling mechanism that arised from intermolecular forces, andit is also beneficial to design and synthesize ideal molecule-based magneticmaterials.