Project Title
ab initio Calculations of Changes in Sulfur’s Orbital Energies and Sizes with Oxidation State as a Means of Explaining Hypervalency
Document Type
Event
Start Date
10-5-2019 3:30 PM
End Date
10-5-2019 6:30 PM
Description
An examination of how sulfur's 3s, 3p and 3d orbitals compare in size and energy to fluorine's 2p orbitals depending on the basis set used to describe the quantum system. This is then used to determine whether 3d orbitals can energetically and geometrically overlap with fluorine's 2p to participate in bonding in hypervalent compounds.
Discipline
Chemistry
Research Mentor(s)
Kevin Bartlett
Copyright Status
http://rightsstatements.org/vocab/InC/1.0/
Additional Rights Information
Copyright held by author(s).
ab initio Calculations of Changes in Sulfur’s Orbital Energies and Sizes with Oxidation State as a Means of Explaining Hypervalency
An examination of how sulfur's 3s, 3p and 3d orbitals compare in size and energy to fluorine's 2p orbitals depending on the basis set used to describe the quantum system. This is then used to determine whether 3d orbitals can energetically and geometrically overlap with fluorine's 2p to participate in bonding in hypervalent compounds.
Rights Statement
