Chem. J. Chinese Universities ›› 1994, Vol. 15 ›› Issue (10): 1518.

• Articles • Previous Articles     Next Articles

Studies on Localized Molecular Orbitals for Compounds of Mn Dimer

LI Qian-Shu, LI Song, TANG Ao-Qingg   

  1. Institute of Theoretical Chemistry, Jilin University, Changchun, 130023
  • Received:1993-10-30 Online:1994-10-24 Published:1994-10-24

Abstract: The canonical and localized molecular orbitals of Mn2( μ-Cl)2(CO)8 and Mn2(CO)10 have been calculated by using the UHF INDOsemiempirical method and via the Edmiston-Ruedenberg localization method.The electronical configuration, geometry struc ture and chemical bonding properties as well as the relationship between them are discussed.

Key words: Localized molecular orbital, Chemical bond, Mn dimer

TrendMD: