Question

By optimizing the structure of the molecules below, the frequency of the C = O double...

By optimizing the structure of the molecules below, the frequency of the C = O double bond was obtained as follows.

(cm^-1)
COH2 1847
COHCH3 1840
COHF 1914
COHOH 1899

1. If we want to get the force constant of each C = O bond, how can we calculate the reduced mass if it is not a diatomic molecule? I am curious about the calculation process.

2. I also wonder why the magnitude of the frequency comes in the order of COHF> COHOH> COH2> COHCH3.

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Answer #1

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