三(1-苯基-3-甲基-4-三氟乙酰-5-吡唑啉酮)二(二甲亚砜)合钕混合配体配合物的合成及晶体结构的研究  

Synthesis and Structure of a Mixed Ligand Complex of Tri(1-phenyl-3-methyl-4-trifluoroacetyl-pyrazol-5-one)bis(di-methyl sulfoxide)Neodymium

作　　者：黄春辉[1] 邓安平[1] 韩玉真[1] 徐光宪[1] 林秀云[2] 郑启泰[3] 沈福苓 张树德 

机构地区：[1]北京大学化学系稀土化学研究中心 [2]中国科学院生物物理研究所 [3]中国医学科学院药物研究所

出　　处：《化学学报》1988年第11期1068-1074,共7页Acta Chimica Sinica

基　　金：国家自然科学基金

摘　　要：以1-苯基-3-甲基-4-三氟乙酰吡唑啉酮-5(HPMTFP)与二甲亚砜(DMSO)为配体,合成了Nd(PMTFP)3·(DMSO)2混合配体配合物.用四圆衍射仪对它的晶体及分子结构进行了研究.A mixed ligand complex of 1-phenyl-3-methyl-4-trifluoroacetyl-pyrazol-5-one(HPMTFP)and dimethyl sulfoxide(DMSO)with neodymium(Ⅲ)having molecularformula Nd(PMTFP)3·(DMSO)2 has been synthesized.Its crystal and molecular struc-ture has been determined by single crystal X-ray diffractometer.7197 independentreflections were collected,of which 4085 observable reflections were used for structurerefinement.The complex crystallizes in monoclinic form with space group P21/n.Theunit cell parameters are:a=21.897(4)A,b=23.339(4)A,c=8.958(2)A,β=96.61(3)°,Z=4,V=4547.6A~3,F(000)=2228e,dcalc=1.605 g/cm~3.The Nd atom is coordinated byeight oxygen atoms,of which six from threeβ-diketone groups PMTFP,and the othertwo from the dimethyl sulfoxide ligands.The eight coordinated oxygen atoms take adistorted delta dodecahedron arrangement around the central Nd atom.The average bondlength of Nd—O is 2.45A,which is very close to the sum of the effective radii of Nd3+and O2-(2.46A).The IR spectra has been discussed as well.

关 键 词：配合物 红外光谱 晶体 IR光谱 配位多面体 三氟乙酰 Nd 化学键 键长 甲基- 芳基 苯基 吡唑酮 吡唑啉酮 二甲亚砜 

分 类 号：O62[理学—有机化学]