LIST:
1. Notebook: pre-lab report, all
results from lab notebook, all work done in the notebook written in lab notebook
BEFORE THE EXPERIMENT:
Read EXPERIMENT 37 and related material from the texbook. In this experiment we examine
the so called nuclear rotation and vibration of the assigned molecules. You may
need to prepare or make the molecules or compounds (see handouts or texbook).
OBSERVE ALL SAFETY RULES IN THE LAB! You will also read and become
familiar with the FTIR instrument and the basic physico -chemical principles on
which it operates (see textbooks and manuals. .
2. Mathematica (or similar ):
all calculations and uncertainty calculations
* You will write all
needed expressions - see textbook and this page to find what you need to
calculate and model in Mathematica - and do the calculations before submission
of results to this webpage. In the Mathematica program assign the values to the
standard physical constants first (example: h, c, etc). Make sure that all input
values are in real number format ("with decimal point"). USE THE CORRECT and
CONSISTENT SET of UNITS The dimensional equations could be calculated the same
way as numerical-but be careful.
Use Mathematica for the calculation of the propagation of uncertainties
expressions. You can practice the model calculations and uncertainty
calculation using available literature data Use the Mathematica FTIR example file
from this web site to see how to do the
modeling and calculations (in class).
3.This web submission
Fill in
the blank fields below with your measured data, results of (Mathematica) modeling, simulations and calculations. After
you have re-checked that all of your values are entered correctly, print
out a hard copy of confirmation page for your record to be submitted with your pre-lab
and the copies of lab-notebook sheets. You
are allowed to submit data more than once-if you make entry error; so make sure your
last entries are correct.
Then click on the submit button.
4. Report in .doc format (abstract,
intro, results&discussion, conclusions, references)
You can use the calculations from Mathematica
and cut-paste copy into report.
*You can attach/submitt by e-mail with
CHEM3493-experiment#-YOUR NAME all on that list, except the copies from
notebook. Also ,when needed, computer generated
work (acquired data in files, images, including all instrument-software, LabView, Mathematica, Excel files, Gaussian03or PeakFit
files etc. ).
Additional postexperiment work
(experiment # 6) will include QM software based (Gaussian)
modeling of the electronic potential energy distribution as a function of
molecular nuclear geometry. You will read and learn about the state to
state transition models and the electromagnetic and molecular physical objects
involved. You will read and learn about the state and state - to -state assignments. You
should be able to extract information about the molecular vibrational parameters
from the measured energies and population intensities using simple mathematical
programs, Use Gaussian 03 example file for the additional report on the electronic
potential surface.