Use suitable molecular-orbital software to calculate the wavefunctions and energy levels for closo-[B 6 H 6 ]
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Use suitable molecular-orbital software to calculate the wavefunctions and energy levels for closo-[B6H6]2−. From that output, draw a molecular orbital energy diagram for the orbitals primarily involved in B–B bonding and sketch the form of the orbitals. How do these orbitals compare qualitatively with the qualitative description for this anion in this chapter? Is B–H bonding neatly separated from the B–B bonding in the computed wavefunctions?
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Related Book For
Inorganic Chemistry
ISBN: 9780198768128
7th Edition
Authors: Mark Weller, Tina Overton, Jonathan Rourke
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