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Bonding in transition metal compounds


Mortola, Albert Patrick (1972) Bonding in transition metal compounds. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/FJ5R-XJ04.


The values of the Hartree-Fock (HF) and Generalized Valence Bond (GVB) Theories of molecular structure are considered by theoretical investigations of the MnO_4^-, TiO, TiCO, and TiCO^+ molecules. Results of these calculations are used in determining the nature of the bonding in these compounds. From the ideas generated, extensions are made to other oxygen and carbonyl transition metal compounds. The conclusion is reached that GVB theory provides more information but is limited to small model compounds. In larger, real compounds, HF theory must be used.

Item Type:Thesis (Dissertation (Ph.D.))
Subject Keywords:Chemistry
Degree Grantor:California Institute of Technology
Division:Chemistry and Chemical Engineering
Major Option:Chemistry
Thesis Availability:Public (worldwide access)
Research Advisor(s):
  • Goddard, William A., III (advisor)
  • Gray, Harry B. (co-advisor)
Thesis Committee:
  • Unknown, Unknown
Defense Date:16 May 1972
Record Number:CaltechTHESIS:11242009-083723341
Persistent URL:
Default Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:5402
Deposited By: Tony Diaz
Deposited On:01 Dec 2009 18:17
Last Modified:21 Dec 2019 03:57

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