Theoretical Studies of Organometallic Compounds. 4. Chelate Complexes of TiCl4 and CH3TiCl3

Volker Jonas; Gernot Frenking; Manfred T. Reetz

doi:10.1021/om00030a022

Theoretical Studies of Organometallic Compounds. 4. Chelate Complexes of TiCl₄ and CH₃TiCl₃

Volker Jonas, Gernot Frenking, Manfred T. Reetz

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48 Scopus citations

Abstract

The equilibrium structures and binding energies of chelate complexes of TiCl₄ and CH₃TiCl₃ with various bidentate ligands have been studied theoretically using effective core potentials and model potentials at the Hartree-Fock and MP2 levels of theory. The results are compared with experiments.

Original language	English
Pages (from-to)	2111-2120
Number of pages	10
Journal	Organometallics
Volume	12
Issue number	6
DOIs	https://doi.org/10.1021/om00030a022
State	Published - 1993
Externally published	Yes

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title = "Theoretical Studies of Organometallic Compounds. 4. Chelate Complexes of TiCl4 and CH3TiCl3",

abstract = "The equilibrium structures and binding energies of chelate complexes of TiCl4 and CH3TiCl3 with various bidentate ligands have been studied theoretically using effective core potentials and model potentials at the Hartree-Fock and MP2 levels of theory. The results are compared with experiments.",

author = "Volker Jonas and Gernot Frenking and Reetz, {Manfred T.}",

year = "1993",

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AU - Frenking, Gernot

AU - Reetz, Manfred T.

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Y1 - 1993

N2 - The equilibrium structures and binding energies of chelate complexes of TiCl4 and CH3TiCl3 with various bidentate ligands have been studied theoretically using effective core potentials and model potentials at the Hartree-Fock and MP2 levels of theory. The results are compared with experiments.

AB - The equilibrium structures and binding energies of chelate complexes of TiCl4 and CH3TiCl3 with various bidentate ligands have been studied theoretically using effective core potentials and model potentials at the Hartree-Fock and MP2 levels of theory. The results are compared with experiments.

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U2 - 10.1021/om00030a022

DO - 10.1021/om00030a022

M3 - 文章

AN - SCOPUS:0000638084

SN - 0276-7333

VL - 12

SP - 2111

EP - 2120

JO - Organometallics

JF - Organometallics

IS - 6

ER -

Theoretical Studies of Organometallic Compounds. 4. Chelate Complexes of TiCl₄ and CH₃TiCl₃

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