Vibration Spectroscopy Lab Report

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Experimental and Computation Vibration-Rotation Spectroscopy for Carbon Monoxide Through the Use of High-Resolution Infrared (IR) Spectra Introduction: The goal of this experiment is to study the most precise way of measuring molecular bond lengths and introduction to computational software used for studying molecular properties. This is of interest in that the instrument to being used, a Fourier-transform infrared (FT-IR) spectrometer, can measure the vibrational and rotational transitions of the fundamental and first overtone of CO. Through this experiment the objective is to collect data from the aforementioned instrument in order to determine vibrational and rotational spectroscopic constants and CO’s bond length, then to compare …show more content…

- Example calculation for the determination of values for Be and e. - Example calculation for the determination of values for e and exe. - Example calculation for the determination of values for Ie, Io, I1, and I2. - Example calculation for the determination of values for re, r0, r1, and r2. - Conversion of units from GHz to cm-1 for Be - Error analysis obtained through Table Curve was base on the fitting of equation 2040 in their data base ( ), this gave direct values for the vo quantities and De was obtained by taking an average of the “d” constants divided by 4 from the relating equation - Error analysis of Bo, B1, and B2 is also based on values coming from Table Curve will error being the same for all of them. - Error analysis of Be and …show more content…

For this reason it is such that very little could be done to correct error within this experiment other than to upgrade and ensure proper maintenance of the equipment and apparatus. For the main part the error comes from the non-ideal behavior of the CO in response to the stretching of its triple bond. As opposed to the situation of the rigid rotor, when an actual molecule is stretched to a certain point the bond disintegrates rather than following the ideal path. It seems that for the most part the calculated values measured up fairly well when compared to those in the literature, in some cases better than the Gaussian 98’ computer program’s values. This is due to the fact that the computer program has values that follow specific criteria, and under real circumstance the behavior of a molecule doesn’t always follow this assumed path. The error determined by the error analysis for B which effected following values was of some concern, however this could be alleviated by choosing a better fitting equation for the data with regards to both sets of data. With this in mind the outcome of the experiment is satisfactory as far as calculated values and gained experience is

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