1997 theory, structure

theory, structureC 1000

43 - 001Molecular and Electronic Structures of TiMH+6 (M: B, Al, Ga)Compounds. — Ab initio calculations of the molecular geometries andbonding features of various isomers of the title compounds show that all stablestructures found have strong two-electron three-center Ti-H-X bonds. Due tothe absence of Ti-X bonding interactions the molecular structure is held togetherby their Ti-H-X electron deficient bonds. — (GARCIA, A.; MERCERO, J.M.; UGALDE, J. M.; J. Phys. Chem. A 101 (1997) 33, 5953-5957; Kim. Fak.,Euskal Herriko Unibertsitatea, E-20080 Donostia, San Sebastian, Spain; EN)

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