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MERLOT II


    

Peer Review


Spectroscopic Simulator

 

Ratings

Overall Rating:

4 stars
Content Quality: 4 stars
Effectiveness: 4 stars
Ease of Use: 4 stars
Reviewed: Jan 08, 2002 by Chemistry Editorial Board
Overview: This applet lets the student study and simulate Infrared Spectra for diatomic
moleules at finite temperatures.
Learning Goals: Understanding spectroscopy of diatomic molecules and all of the factors
influencing intensity and energy.
Target Student Population: Physical Chemistry Students and some analytical students
Prerequisite Knowledge or Skills: Knowledge of energy levels (rotational, vibrational) of diatomic molecules
Type of Material: Simulations
Technical Requirements: This Java applet simulates vibrational-rotational spectra of diatomic compounds. The applet works well if the webbrowser is able to run Java applet. The fight for dominance in the market place has resulted in some browsers unable to run applet. Thus, the easy access depends very much on the system of the user.
Make sure you are using a browser that can run Java applet.After changing the parameters, press the Enter key to see the resulting spectrum. There is no instruction as to how to start the recalculation using the newly entered parameter.

Evaluation and Observation

Content Quality

Rating: 4 stars
Strengths: Vibrational-rotational spectra of HF, KCl, HBr, HI, ICl ClF and an imaginary compound are very nicely simulated. he applet first shows a default spectrum of an unspecified diatomic compound with a set of rotational constant, vibrational frequency, and linewidth. At this point, one may change any of the parameters specified on the Applet, and press the Enter key to see the effect. Thus, with proper guidance of an expert, one may see the shape of the spectrum under various conditions.
On the other hand, one may choose any of the diatomic molecues as indicated above to simulate. For example, one can see that the vibrational frequencies decrease in the order HF, HCl, HBr, HI etc as the bondlength increases. For any one of these compound, one may vary the parameters freely to see the effect.

Keen students will try to find out the meaning of anhamonicity, distortion, etc. and then see how these parameters affets the spectrum. These parameters were not mentioned in the document associated with this applet. The documentation is simple, but the simulation is rather sophisticated.
Concerns: The documentation could be more in depth. As it stands, students need proper guidance about reference material

Potential Effectiveness as a Teaching Tool

Rating: 4 stars
Strengths: The calculation is fast, and the presentation is easy to observe.

Excellent for teachers to explain the effects of various parameters on the spectrum, and thus it is excellent for lecture demonstration.
The simulation may be used to guide the evaluation parameters of an experimental observed spectrum.
Concerns: Many of the simulated spectra are not observable in experiments. Students should realize the difference between simulation and experiments.

Ease of Use for Both Students and Faculty

Rating: 4 stars
Strengths: The effects of parameters are simulated and easily visible.
Concerns: This Java applet simulates vibrational-rotational spectra of diatomic compounds. The applet works well if the webbrowser is able to run Java applet. The fight for dominance in the market place has resulted in some browsers unable to run applet. Thus, the easy access depends very much on the system of the user.
Make sure you are using a browser that can run Java applet.After changing the parameters, press the Enter key to see the resulting spectrum. There is no instruction as to how to start the recalculation using the newly entered parameter.
The website is:http://ir.chem.cmu.edu/irproject/applets/spectro/

Many of the parameters are not explained. The guidance of an expert is required.