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铕与PMBP配合物晶体结构和电子结构的研究

STUDY ON CRYSTAL AND EL ECTRONIC STRUCTURE OF EUROPIUM( ) WITH1 -PHENYL-3 -METHYL-4-BENZOYL-PYROZOLONE-5 (HPMBP)
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摘要 The title complex Eu(PMBP) 3 · 2 H2 O has been synthesized. The crystal is monoclinic with space group of P2 1 / n,a=14 .982 1(1) ,b=14 .75 18(8) ,c=2 4 .4 979(9) ,β=10 1. 5 2°. Each europium ion is coordinated by 8oxygen atoms,contributed by three PMBP and two watermolecules,arranged atthevertices of a square antiprism. The electronicstructure of the complex was calculated using the INDO/ F program.The molecular orbital energy, charge distribution,and Mulliken bond order ofthe structure and bonding characters of Eu L3 · 2 H2 O have been discussed. The title complex Eu(PMBP) 3 · 2 H2 O has been synthesized. The crystal is monoclinic with space group of P2 1 / n,a=14 .982 1(1) ,b=14 .75 18(8) ,c=2 4 .4 979(9) ,β=10 1. 5 2°. Each europium ion is coordinated by 8oxygen atoms,contributed by three PMBP and two watermolecules,arranged atthevertices of a square antiprism. The electronicstructure of the complex was calculated using the INDO/ F program.The molecular orbital energy, charge distribution,and Mulliken bond order ofthe structure and bonding characters of Eu L3 · 2 H2 O have been discussed.
出处 《无机化学学报》 SCIE CAS CSCD 北大核心 1996年第1期107-110,共4页 Chinese Journal of Inorganic Chemistry
关键词 HPMBP 晶体结构 电子结构 配合物 europium HPMBP crystal structure electronic structure
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