Determine the percent error of the three transitions

Reference no: EM13797084

1. Determine the center of mass coordinates for formaldyde, H2C=O. Start with a planar structure with C as the origin. The HCH angle is 120 degrees. The C-0 bond length 1.2 Å, the C-H bond length is 1.0 Å.

2. Calculate the rotational constants: A, B and C in MHz. Use A (MHz) = 505379 MHz amu Å²/l_a (amu Å²).

3. Determine three transitions from the energy level handout and compare to the JPL database. Determine the percent error of the three transitions.

4. The NIST bond length webpage (https://cccbdb.nist.gov/expbondlengths2.asp?descript=rHC&all=0) gives the average C-H length as 1.068 Å and a minimum C=0 bond length as 1.11 Å. How does that affect the highest frequency transition from problem 3?

Reference no: EM13797084

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