H2CO

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Formaldehyde

The bond length of formaldehyde was was find using different energy levels. The lengths between the two hydrogens, carbon, and oxygen were found using AM1 energy level.

The next length was found using energy level 6-21G.

The next length was found using energy level 6-31G, which is a higher level of theory than 6-21G.

The final energy used to find bond length between the chlorine and oxygen ion was DZV, this was the highest level of theory used to detect bond length.

The Highest Occupied Molecular Orbital (HOMO) is the 8th orbital as determined by adding all the electrons up and dividing them by two as there are two electrons for each orbital.

The Lowest Unoccupied Molecular Orbital (LUMO) is the orbital just one above the Highest Occupied Molecular Orbital, for formaldehyde that orbital is 9.

Table 1: Literature values of the bond length between two atoms.⁴

Bond	Length (A)
O-C	1.21
C-H	1.11
H-O	2.03
H-H	1.86

The electrostatic potential of the molecule shows where the highest and lowest potentials are in the orbitals. The blue color shows where the electrostatic potential is the highest while the red shows where it is the lowest.

The partial atomic charges of each atom are calculated via the distribution of the electrons in the chemical bond between the four atoms

The following are the vibrations of the molecule. You can click on each vibration to view how it is different from the rest.

You may look at any of these intermediate views again by clicking on the appropriate button.

From our experimental data, the dipole moment of formaldehyde was found to be 3.158 Debye. Using NIST, the experimental dipole moment is said to 2.330.⁴

Based on template by A. Herráez as modified by J. Gutow

Page skeleton and JavaScript generated by export to web function using Jmol 14.2.15_2015.07.09 2015-07-09 22:22 on Mar 1, 2016.

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