Bond
Length/Order Data
Literature value for bond length: 1.99 pm1
Literature value for bond length: 1.99 pm1
- bond order: .941
- bond length: 2.193 pm
Calculated data using 6-31G basis set
- bond order: .906
- bond length: 2.157 pm
The level of theory used for further analysis should be 6-31G. It's calculated bond length is closer to the literature value. A reference value for the bond order could not be found.
Orbital
Configuration
Highest
occupied molecular orbitals in a Cl2
molecule
Chlorine's ground state electron configuration is
[Ne]3s2p5. This makes sense in conjunction
with the above graphic, because the orbitals represented are
p-orbitals, which are the hughest occupied.Calculated Vibrational Frequencies and
Motions
2.76 cm-1 corresponds to a asymmetric stretch.
512.09 cm-1 corresponds to symmetric stretch.
Data to be compared
could not be found.
Electrostatic
Potential Surface
Electrostatic
potential surface of a Cl2 molecule
The
electrostatic potential surface of Cl2 is symmetric as
depicted above. Both chlorine atoms have the same
electronegativity and therefore, the potential surface about the
molecule is mirrored across the center of the molecule in the
x-, y-, and z- directions.
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