ChargeF2-

	Jmol0 will appear here.
CLICK IMAGE TO ACTIVATE 3D Insert a caption for “PartialCharge” here.

The partial atomic charges for each fluorine atom are displayed in the figure to the right. The numbers next to each individual atom is their partial atomic charge. The partial atomic charge should be the same since the atoms are the same. The electrostatic potential is the shaded colors around the molecule. The red color means high electron density. The electrostatic potential is a solid color with equal electron density because the two fluorines have the same electronegativity.

	Jmol1 will appear here.
CLICK IMAGE TO ACTIVATE 3D HOMO

HOMO
The highest occupied molecular orbital (HOMO) is the highest energy molecular orbital occupied by electrons. It is considered the quote on quote ground state of the molecule since all of the valence electrons fill the possible shells. The HOMO orbital is the last orbital with electrons in it and since electrons fill the lowest energy orbitals first, the HOMO orbital is then the highest energy.

The figure to the left is the highest occupied molecular orbital for F2-.

	Jmol2 will appear here.
CLICK IMAGE TO ACTIVATE 3D LUMO

LUMO
The lowest unoccupied molecular orbitals (LUMO) is the next orbital above the HOMO; The LUMO is higher in energy. If an electron is pushed from the HOMO into the LUMO, it is considered to be excited.

The figure to the right is the lowest unoccupied molecular orbital for F2-.

Dipole moments

For the 6-31G basis set: DX = -0.000000       DY = -0.000000         DZ = 0.000000     /D/ = 0.000000 (DEBYE)

For the CCD basis set: DX = 0.000000        DY = -0.000000         DZ = -0.000000    /D/ = 0.000000 (DEBYE)

For the CCT basis set:   DX = 0.000000        DY = -0.000000         DZ = -0.000000    /D/ = 0.000000 (DEBYE)

F2- will not have a dipole moment since they are the same two atoms.

For the vibrational modes of F2- click here:
Vibration

Using directory /Users/padill21/Desktop/LPCU/ChargeF2-
  adding support.js
  ...jmolApplet0
      ...adding PartialCharge.png
copying and unzipping jsmol.zip directory into /Users/padill21/Desktop/LPCU/ChargeF2-
      ...copying
file:/Users/padill21/Desktop/Quantum Calculations/F2-,CCT,UHF.log
         to
      ...compressing large data file to
/Users/padill21/Desktop/LPCU/ChargeF2-/F2-,CCT,UHF.log.gz
/Users/padill21/Desktop/LPCU/ChargeF2-/F2-,CCT,UHF.log.gz
      ...adding PartialCharge.spt
  ...jmolApplet1
      ...adding HOMO.png
copying and unzipping jsmol.zip directory into /Users/padill21/Desktop/LPCU/ChargeF2-
      ...adding HOMO.spt
  ...jmolApplet2
      ...adding LUMO.png
copying and unzipping jsmol.zip directory into /Users/padill21/Desktop/LPCU/ChargeF2-
      ...adding LUMO.spt

Molecular Orbitals