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Effect of structural and chemical parameters on magnetic coupling in hydroxo-bridged Cu(II) dimer

✍ Scribed by Haiquan Hu; Yongjun Liu; Dongju Zhang; Chengbu Liu


Book ID
114141539
Publisher
Elsevier Science
Year
2001
Tongue
English
Weight
77 KB
Volume
546
Category
Article
ISSN
0166-1280

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The X~U-SW-VB model has been applied to compute the singlet-triplet separation in the model complex [ (OH),Cu(p-0 )Cu( OH),] 6-whose geometric and bonding parameters were fixed at the values observed in the crystal strncture of YBaZCu#\_v. The calculations show that a strong antiferromagnetic inter