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University of Illinois at Urbana-Champaign
The Electronic Structure of The Trifluoride Ion and a New Synthesis and Reactions of 3-Chloro-1,2,3-Tris (Trifluoromethyl) Cyclopropene (Metallatetrahedrane, Molybdenum, Hypervalent)
Abstract
dc:descriptionThe electronic structure of the hypervalent trifluoride ion has been calculated at the ACCD (approximate coupled clusters with doubles substitution) level. The ion was calculated to be symmetric (point group D(,(INFIN)h)) and stable with respect to F('-) and F(,2) by 11 kcal/mol.
Degree
thesis:*- Name thesis:degree_name
- Ph.D.
- Level thesis:degree_level
- Dissertation
- Discipline thesis:degree_discipline
- Chemistry
- Grantor
- University of Illinois at Urbana-Champaign
- Year dc:date
- 2014
Author and committee
dc:creator, dc:contributor.*- Author dc:creator
-
- Cahill, Paul Augustine
Subjects
dc:subject × 1Identifiers
dc:identifier.*- Identifier
- (UMI)AAI8701447
- OAI identifier oai:identifier
- oai:www.ideals.illinois.edu:2142/70340