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Spectroscopy Information for Ethyl Benzene



There are three significant stretches for ethyl benzene; the C-H, C-C, and C=C stretches.



 

The table below shows the literature values for IR stretching frequencies.

Bonding
Stretching Frequencies (cm-1)1
C-H
3300-3000
C-C
1800-1750
C=C
1600-1590

For a reference spectrum, please visit the NIST website.

UV-Vis Spectroscopy

Excitation Energies (cm-1) for varying basis sets.

6-21G
6-31G
DZV
G→1 52138.98 51271.66
50427.95
G→2 53867.73 68254.02
51919.41
G→3 69401.64
--
66997.89
G→4 69929.52
68787.71
67337.11
G→5 --
--
75223.88
G→6 --
--
77138.18
G→7 --
--
77402.65
G→8 --
--
78242.83
To view literature UV-VIS, click here.

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References
(1) Weast, Robert C., Melvin J. Astle, and William H. Beyer. "Element Properties." CRC Handbook of Chemistry and Physics: A Ready-reference Book of Chemical and Physical Data. 60th ed. Boca Raton, FL: CRC, 1984. N. pag. Print.
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