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Get Full Access to Atkins' Physical Chemistry - 11 Edition - Chapter 13c - Problem E13c.2(a)
Get Full Access to Atkins' Physical Chemistry - 11 Edition - Chapter 13c - Problem E13c.2(a)

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ISBN: 9780198769866 2042

## Solution for problem E13C.2(a) Chapter 13C

Atkins' Physical Chemistry | 11th Edition

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Atkins' Physical Chemistry | 11th Edition

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Problem E13C.2(a)

Use mathematical software or a spreadsheet to evaluate, by explicit summation, the mean rotational energy of CO and plot its value as a function of temperature. At what temperature is the equipartition value within 5 per cent of the accurate value? $$\tilde{B}(\mathrm{CO})=1.931 \mathrm{~cm}^{-1}$$.

Text Transcription:

tilde B(CO)=1.931 cm^-1

Step-by-Step Solution:
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CHEM 3201 – Chapter 1 Structure Determination  Different parts of the electromagnetic spectrum can help us determine the structure of molecules  Can use X-ray diffraction to obtain complete structure o Issues:  Need crystal (at least 0.1 mm x 0.1 mm x 0.1 mm)  Takes time to acquire data (several hours to 1 month)  Depends on size of molecule (smaller = faster) and quality of crystal  Data interpretation requires a few hours to several days of computations  Can’t see H atoms  Can confuse atoms of similar size (ex. N vs O)  Often an external service  Can be expensive  What do we do if we can’t use X-ray crystallography o 3-step approach:  Determine molecular mass and molecular formula  Determine functional groups  Steps one and two can alternate  Determine bond connectivity  Can also use other spectroscopic methods o IR and UV/vis can give us an idea of functional groups present o Radio waves (ex. NMR) can give us bond connectivity data and functional group data  Two major techniques to determine molecular formula: o Elemental analysis/ combustion analysis  Only gives empirical formula and only for elements tested o Mass spectrometry  Gives mass + IR (gives func

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