Spectroscopy Information for Ethyl Benzene
There are three significant stretches for ethyl benzene; the C-H, C-C, and C=C stretches.
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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 |
UV-Vis Spectroscopy
Excitation
Energies (cm-1) for varying basis sets. |
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6-21G |
6-31G |
DZV |
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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 |
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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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2013-01-23 21:55 on Mar 3, 2013.