Electron Density Distributions of Pyrimidine Bridged Cu, Fe, and Co Complexes Showing Magnetic Properties

Autor:	Masanori Yasui, Naoya Akiyama, Fujiko Iwasaki, Ryo Takayama, Daisuke Hashizume
Rok vydání:	2002
Předmět:	education.field_of_study Electron density Chemistry Ligand Stereochemistry Population Bridging ligand General Chemistry Crystal structure Condensed Matter Physics Crystallography Unpaired electron Antiferromagnetism Molecule General Materials Science education
Zdroj:	Molecular Crystals and Liquid Crystals. 376:519-524
ISSN:	1563-5287 1542-1406
DOI:	10.1080/713738465
Popis:	Experimental electron density distributions of [Cu(NO 3 ) 2 (H 2 O) 2 (pm) 2 ] ( 1 ) and [MCl 2 (pm) 2 ] ( 2 :M=Co, 3 :M=Fe) (pm=pyrimidine) showing antiferromagnetic interactions were determined by the X-ray diffraction method using the multipole expansion refinement. In the crystal structures, the pyrimidine ligand bridges metal atoms to form one-dimensional chains in 1 , and three-dimensional networks in 2 and 3 . The electron populations in the d-orbitals calculated from the multipole population parameters revealed that the unpaired electrons are located in d x 2 −y 2 orbital for each complex. These results show that the strong interactions between the bridging ligand and the unpaired electrons cause the antiferromagnetic interactions mediated by the bridging ligands.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::15775f9cb5777b1d4c5da43877941015 https://doi.org/10.1080/713738465 Zobrazit plný text záznamu Plný text ve formátu PDF