Organic Ir Essay

VRAJESH PATEL

The spring 20, 2013

TITLE: Structure Elucidation of Organic Chemical substances Using Infrared Spectrometry and Computer Molecular Models.

AIMS: Using the Spartan Student v5. 0. zero. Software in computer, determine the absorption frequencies of C=O str., C-H str., and C-H bend inside the following elements: 1 . Benzaldehyde

2 . Ethyl Benzoate

3. 3-Pentanone

5. Pentanal

5. For offered unknown Infrared spectra, find out the chemical substances based on the absorption frequencies of C=O str., C-H str., and C-H bend.

DATA AND BENEFITS:

Assignments intended for unknowns A-D:

Spectrum letter: | Chemical substances

A| 3-Pentanone

B| Ethyl Benzoate

C| Pentanal

D| Benzaldehyde

A comparison of Observed and Calculated compression Frequencies: Compression Description| Fresh v| Worked out v| Scaled v| Benzaldehyde C=O str. | 1716. 30| 1750| 1579. 55

Benzaldehyde C-H str. | 2978. 71| 2700| 2437. 02

Benzaldehyde C-H bend| 1377. 19| 1350| 1218. 51

Ethyl Benzoate C=O str. | 1724. 94| 1750| 1579. 55

Ethyl Benzoate C-H str. | 0| 0| 0

Ethyl Benzoate C-H bend| 1391. 36| 1350| 1218. 51

3-Pentanone C=O str. | 1717| 1750| 1579. 55

3-Pentanone C-H str. | 2982. 63| 2950| 2662. 67

3-Pentanone C-H bend| 1367. 45| 1350| 1218. 51

Pentanal C=O str. | 1703. 24| 1750| 1579. 55

Pentanal C-H str. | 2819. 36| 2900| 2617. 54

Pentanal C-H bend| 0| 0| 0

BOTTOM LINE:

* Finding the fresh and computed value for Absorption Frequencies of given four organic and natural compounds, i was able to identify four unfamiliar Infrared Spectra by evaluating their C=O str., C-H bend., and C-H str. Values with all the experimental values. * IR spectra strategy can be widespread in organic and inorganic chemistry for various reasons.



Related

Category

News