A Computerized Physical Chemistry Experiment A computer program has been written for the IBM 1130 which calculates molecular parameters for diatomic molecules, in the ground and the first excited state, from the mspectrum. As a regular laboratory experiment the student chooses one of sin molecules from the hydrogen or deuterium halides, (fluorides and astenides excluded). The gas is prepared, the spect.rum is ohtained, the IR lines are measured, and the data is used as the input to the program. The experiment allows the student to observe a t first hand those properties dependent on isotopic substitution. The program utilizes the more accurate method of first differences rather than fitting the data to a cubic equation. A lemt squares evaluation of the ground vibrational frequency is included as is an approximation of the anharmonicity constant. A complete listing of the program and experimental details will he sent to all upon request. MORRISBADER M o n . n v ~ aCOLLEGE ~ BETHLEHEM, PENNSYLVANIA
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