computer exercise1 - COMPUTER EXERCISES: General...

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COMPUTER EXERCISES: General Information The computer-based component for CH 210C is an important adjunct to the “wet chemistry” part of the course. A set of exercises is available that will acquaint you with various ways in which computer software can enrich your laboratory experience. The exercises require that you work with the following two different softwares: the “Spectra” program located on the web, which allows detailed analysis of 1 H NMR spectra and IR Spectra; and the “ChemSketch” program for drawing chemical structures and predicting 13 C NMR chemical shifts. Some of the exercises will require that you use the machines housed in the departmental computer laboratory, WEL 2.306. Because there are a large number of students enrolled in the course this semester, the limit in the number of machines running ChemSketch requires that you perform assignments in the computer facility in a timely manner. In other words, if you wait until the last minute to do an assignment, you may not get the needed access to a machine to meet the specified deadline. So plan your time accordingly!! The departmental computer laboratory will be open M–Th from 9 AM to 10:45 PM, Friday from 9 AM to 7:45 PM and Sunday from 2–10:45 PM . It is closed on Saturday . Students enrolled in chemistry and biochemistry courses are given priority access to the computers between 9 AM and 5 PM. Note: Some of the assignments require that you print the results of your work. If you are using the computers in the departmental laboratory, there may be significant delays in receiving your printouts. We suggest that you enter your output in the printing queue and return to the laboratory at a later time to pick it up. Finally, when working with the various software, do not hesitate to seek assistance if you experience difficulties in executing the required commands. Your laboratory TA is knowledgeable about the software and can assist you in their use. The proctor in the departmental computer laboratory may also be able to help, but bear in mind that such assistance is not part of her/his “job description.” COMPUTER EXERCISES: Directions For Chemsketch 1. Open the software by clicking Start/Programs/ACDLabs/CNMR Spectrum Generator . 2. Once a new file has appeared on the screen, make sure that you are in the “ Structure ” mode by ensuring that the button, located in the top left corner of the screen, is selected. The tools you will need to use are as follows: Allows highlighting and moving of structures. Allows addition of bonds (single, double or triple) to a structure. Allows the generation of “zigzag” molecular skeletons. The carbon atom selection button. Select this button when you wish to draw carbon bonds. Select other atom buttons when those atoms are required. Allows the generation of a 6-membered ring.
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computer exercise1 - COMPUTER EXERCISES: General...

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