FTIR Data

FTIR Lab Report Guidelines Ravi Ranjan

CHEM 343 Fall 2018

I. Title Page a. Set title to center of page horizontally and vertically b. Experiment title should be larger font than author info (it must be obvious that it

is the title) c. Author info includes: Name, Partner Name, Date, TA d. Title page should not have a number, report pages are numbered

II. Abstract a. Short paragraph summarizing report (most journals have a 300-word limit, you

will not be held to this limit) b. The objective, theoretical basis, results, and success of the experiment should be

included c. Does not need to be a separate page

III. Introduction a. Explains why the experiment is performed (since this is an educational

experiment, you will explain the theory behind it) b. Your hypothesis will be in the introduction. What do you expect the result to be?

Do you expect to see nuclear spin effects in the spectra? c. Equations should be numbered and written with the equation editor (i.e.

𝑟"# = %&',)*&',+ ,)*,+

− . / 𝑟"" should be shown instead of

rCH = sqrt((Ie,D – Ie,H)/(mD – mH)) – rCC/2) d. Any variables introduced must be defined. (i.e. The equation to determine the

area of a triangle is 𝐴 = . / 𝑏ℎ, where A is the area, b is the length of the triangle base,

and h is the triangle height perpendicular to the base) e. Use subscripts and superscripts appropriately

IV. Materials and Methods a. Contains an in-text list of items used in the experiment (i.e. CaC2, 99%; D2O, 99%; Bruker

Tensor 27 FTIR Spectrophotometer; etc.) Items separated by semicolons. descriptions separated by commas

b. A short summary of the procedure from the manual in paragraph form c. Should be detailed enough where someone else can reproduce your experiment d. Must contain explicit and implicit citation to lab manual

V. Data/Results a. No less than 2 graphs per page but must be large enough to read regression analysis b. Graphs generated in software other than MS Excel c. Graphs should be formatted with axis titles and descriptive chart title (Do not use “vs.”

in the title)

d. Data must be presented in tables with associated error values and proper significant figures

Parameter Value v (m/s) (1.23±0.02)×105 E (kJ) 1.637±0.009

e. When using scientific notation, do not use E. E-4 is different from 10-4 f. Use multiplication symbol (×) instead of asterisk (*) or letter x g. All values must have appropriate units

VI. Calculations a. Only one set of calculations needs to be shown (i.e. Show calculations for C2H2 and

report values for C2H2 & C2D2) b. Show units and conversions c. Equations should be numbered for easy reference d. Use some text between equations to explain the algebraic manipulations (i.e. like

textbooks, make it easy for me to understand your thought process) The equation for the slope of a line is given by Equation 1:

𝑦 = 𝑚𝑥 + 𝑏 (1)

From the linear regression analysis of the calibration curve, Equation 1 becomes:

𝑦 = 12.53 < = ,>?

@ × 𝑥 <,>? = @ + 0.49 (2)

The concentration of the unknown sample can be determined by solving Eq. 2 for x

𝑥 = E*F.GH

./.IJ< K LMN@

(3)

Using the absorbance of the unknown sample for y, the concentration is:

𝑥 = F.OI*F.GH

./.IJ< K LMN@

= F.JP

./.IJ< K LMN@

= 2.9 × 10*. 𝑚𝑜𝑙 𝐿⁄ (4)

e. Use MS Word equation editor or equivalent software f. Have a logical flow to the calculations, do not jump from one result to the next

VII. Discussion

a. Explain what the results mean b. Interpret the FTIR spectra (what do you see? Is it expected? Nuclear Spin effects,

Branches in the ro-vib spectrum, vibration energy difference between products, etc.) c. Connect the experiment to the theory (Demonstrate your understanding of Quantum

Mechanics as it applies to Rotational-Vibrational Spectroscopy) d. Compare the results to those from the Tidwell group (Tidwell’s findings were published

in the 1960’s) e. Comment on the differences between your experiment and Tidwell’s f. Show your confidence in your results g. If applicable, provide suggestions for improvement in the experiment (not making the

calculation less tedious, we can’t avoid that)

VIII. Conclusion a. Simple summary of the experiment b. Results and comparison to Tidwell c. Your interpretation of the results/experiment.