Cyclohexane (cas110-82-7)is a cyclic hydrocarbon with the molecular formula C6H12. It has a characteristic chair conformation that minimizes the strain of the carbon-carbon bonds. Cyclohexane is widely used as a solvent and as a starting material for the synthesis of other organic compounds.
IR Spectroscopy of Cyclohexane
IR spectroscopy is a technique that uses infrared radiation to measure the vibrational frequencies of the molecular bonds in a compound. The IR spectrum of a compound can provide information about its functional groups, structure and purity.
The IR spectrum of cyclohexane(cas110-82-7) can be divided into three regions: the fingerprint region (below 1500 cm-1), the CH stretching region (2800-3000 cm-1) and the CH bending region (1300-1500 cm-1).
Fingerprint Region
The fingerprint region of cyclohexane contains several bands that are characteristic of its cyclic structure and conformation. The most prominent band in this region is the Eu skeletal deformation vibration at 248 cm-1 . This band is unique to cyclohexane and can be used to identify it among other cyclic hydrocarbons. Other bands in this region include the A2u ring breathing vibration at 802 cm-1, the Eg ring puckering vibration at 1165 cm-1 and the A2u CH2 rocking vibration at 1265 cm-1 .
CH Stretching Region
The CH stretching region of cyclohexane shows two bands at 2930 cm-1 and 2850 cm-1, corresponding to the asymmetric and symmetric stretching vibrations of the CH2 groups, respectively . These bands are similar to those of alkanes, but they are slightly shifted to lower frequencies due to the ring strain. The intensity ratio of these bands can be used to estimate the percentage of axial and equatorial CH2 groups in cyclohexane .
CH Bending Region
The CH bending region of cyclohexane(cas110-82-7) shows four bands at 1460 cm-1, 1445 cm-1, 1385 cm-1 and 1360 cm-1, corresponding to the scissoring, rocking, wagging and twisting vibrations of the CH2 groups, respectively . These bands are also similar to those of alkanes, but they are slightly shifted to higher frequencies due to the ring strain. The intensity ratio of these bands can also be used to estimate the percentage of axial and equatorial CH2 groups in cyclohexane .
IR Spectrum Range of Cyclohexane
The IR spectrum range of cyclohexane can be summarized in the following table:
| Vibration | Frequency (cm-1) | Intensity |
|---|---|---|
| Eu skeletal deformation | 248 | strong |
| A2u ring breathing | 802 | medium |
| Eg ring puckering | 1165 | weak |
| A2u CH2 rocking | 1265 | weak |
| CH2 asymmetric stretching | 2930 | strong |
| CH2 symmetric stretching | 2850 | strong |
| CH2 scissoring | 1460 | medium |
| CH2 rocking | 1445 | medium |
| CH2 wagging | 1385 | medium |
| CH2 twisting | 1360 | medium |
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