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- ISSN: 1570-1786
- E-ISSN: 1875-6255
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Description of the Acid/Base Behavior of Organic Phosphines Using ab initio and Chemometric Approaches
- Source: Letters in Organic Chemistry, Volume 7, Issue 7, Oct 2010, p. 552 - 556
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- 01 Oct 2010
Abstract
The concept FERMO emerges as a tool to investigate the role of molecular orbitals used to describe the chemical bonds. Thus, calculations were carried out with a set of phosphines. Our data suggest that different molecular orbitals, beyond HOMO, can be used to describe the behavior of acid-base reactions.
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