Experiment 3 submit the requested data here |
Rovibronics HCl Experiment 37 p 416 textbook 1-read the material, find what instruments are available in the lab etc. 2. identify your goals and the goals you identified in the class discussions 3. prepare the procedures for measurements and prepare the methods for data analysis and modeling 4. start experimental and modeling work 5. review the goals and tasks 6. prepare the report
|
YOU NEED BEFORE GOING INTO |
FTIR -old data October 18 1
2 (ASCI files) OLD MATERIAL
January09 HCl DCl January 2011 first group HCl DCl January 2011 second group FTIR instrument Mattson Satellite files last experiment April 08 1 (dam.tbl)
|
ADDITIONAL INFORMATION: (1) Extraction of physical parameters: FIRST CHECK THIS: (2) Additional assignment (see e-mail) Calculations of Rovibrational (rotational) populations-Boltzman/exponential -Introduction Mathematica .nb file Rotational-temperature-workshop (3)FOR EVALUATIONS AND CxC SEE the CXC BOX (4) Instructions for the use of Gaussian program will be given in the class (5) Mathematica HCl Morse part 2 (6) computations- see handouts for computational determination of molecular constants and vice versa hcl.log WORK WITH hcl- t-file see the handouts
input: hcl-t .gjf find potential surface:
(MO energy units1hartree =27.2 eV) output
hcl-t .log Use energies: (to plot potential curve) CCSD(T)=-460.2623687,-460.3163769,-460.3389662,-460.3429864,-460.3362496,-460.3235915,-460.3080255,-460.2914231,-460.2749416\
Transitions/. |