The course has continuously evolved from its inception three years ago. The current s&jects included in the course alone with the number of class hours per topic are listed in the table. These topics are rather broad, and the emphasis may vary depending upon the makeup of the class and the availability of computer facilities. The department has the following selection of computer hardware: a KIM-6502 microprocessor, a Hewlett-Packard 2648A Graphics terminal connected in a time-sharing mode to the Univac 90170, a Hewlett-Packard 2647A Intelligent Graphics terminal connected to a Hewlett-Packard 9872A plotter, a TRS-80 Model 111
journals (17-21), a list of reserved texts (22-281, hardware manuals, and software packages. Acknowledgment The authors are grateful for the support and encouragement of Dr. Paul E. Beck in developing this course and for an equipment grant from the Clarion State College Foundation.
Nomenclature, Preparations, and Reactions Richard D. Sands Alfred University Alfred, NY 14802
system. The student is first introduced to the basic operations of computers starting with number systems and continuing with
PASCAL, the students choose a language with which to complete three programming assignments. These deal primarily with the development and application of scientific algorithms. The programs cover such problems as leastsquares data reduction, second-derivative analysis of titration data. three-dimensional eraohics, etc. Approximately one quarter of the course is spent in discussing numerical topics such as statistics, solutions of simultaneous equations, curve introduced to computer-assisted structure elucidation and spectral analysis with such examples as microwave, IR, NMR, and mass spectroscopy. Several lectures during the semester deal with computer representation of chemical structure using Wiswesser line notation, connection tables, and three-dimensional structure generation. Chemical information storage and retrieval are discussed and each student is required to design a search strategy and conduct an on-line search of a chemical topic using the Lockheed Dialoa Information Systems databases (I ). The purpose of this project is to make the student aware of the caoabilities of database searching. Next the students investihate the advantages and disadvantages of computer-assisted instruction by reviewing and examining software packages in the departmental computer library (2-6). Finally, emphasis is placed on a discussion of computer interfacing, hut so far no actual projects of laboratory interfacing have been introduced as an integral part of the course. Students reviewed three software packages and presented a written critique describing the advantages and disadvantages of each package. These critiques were the basis for classroom develo~mentof aood oroerammine techniques. Three programs were assigned enabling each student to gain "hands-on" experience with the various languages and computer systems. The students obtained this experience during the scheduled class, in the computer laboratory, and on their own time. The students' overall performance in this course was evaluated by means of two hourly examinations and a comprehensive final examination. Because of the diverse nature of the course, finding a suitable text was a difficult task. Students were required to purOF CHEMICAL chase "Iterations: Computing in the JOURNAL EDUCATION" edited by John W. Moore (7). Regular reading assignments were required in "Numerical Methods in Chemistry" by K. J. Johnson (8) and "Introduction to Comouter Proerammine for Chemists: Fortran" by T. Isenhour l assignments and lecture and P. J U ~ S(9).~ d z i t i o n areading material were selected from the Comuuter Series in the JOURNAL OF CHEMICALEDUCATION (10-If?), selected
Many students who start a course in organic chemistry never reach the more exciting parts of the course because they do not take the time to accumulate the vocabulary, i.e., the nomenclature, preparations, and reactions. To make this first step more palatable, I have developed a computer program that could help students who might otherwise drop out. Briefly, the program is an exercise where the student must give a name, a reaction, and a preparation for a structure chosen from whatever class of comoounds on which he or she wants to practice. The comoounds to choose from are all the possible acyclic, monofunctional, six-carbon aliphatics, and a few cyclics, in the followine classes: oaraffins, olefins, acetylenes, alkyl bromides, alcohols, ethers, aldehydes, ketones, primary amines, nitro compounds, acids, acid salts, acid halides, unsubstituted amides, esters, and acid anhydrides. About a dozen other monofunctional aliphatic compounds are included, and all but two of them are also six-carbon comoounds. .I he tvpes u r reactim ustd in thv rt,aa.rim and preparatim sectiuni:~rethcar ier f t r t h hy Hawr ill~dLhniels 1 2 9 1 : .Addition, substitution, displace&ent, neutralization, oxidation, reduction, elimination, addition followed by elimination, and rearrangement. Substitution (such as halogenation) was considered a reaction of paraffins but not of classes where a functional group is present, except when, as in the Hell-Volhard-Zelinski reaction, the functional group controls where the suhstitution will occur. Oxidation was not considered a reaction if it were no more specific than combustion. The student decides on a class of compounds and types in one of the numbers given for that class. The machine gives him or and asks for the structure's name. If the - - her ~ a ~structure name is correct, the student is asked to give the type of reaction exhibited hv the comoound. If this answer is correct, then the type of reaction for the preparation of the compound is reauested. If the oreoaration chosen is correct, the student is asked to chooseanbther compound. If a wrone answer is given, the machine types "Try again." After four wrong names, the correct nameis given by the machine. and the student is asked to give the compound's reactions. If four wrong reactions are gi;en, the correct reactions are shown to the student, and he or she is asked to give a preparation. After four wrong preparations are given, the student is asked to choose another compound. The program is written in BASIC, contains 84 statements, requires a data file of 200 lines (of variable length but some lines use 120 characters), and can be displayed on a graphic terminal or printed. Execution can be done with 16K 32-bit words or with a 16K micro. Input instructions are given at the terminal during execution. Documentation consists of a ;~ one-pige listing, t r m v samplt t~ztoltltms.and thr d i ~ t file tugether wi~hthv list in^ on p u r ! l - ~ - l ~ a m ~ I6W e l K ~(Cxl ~ ~ Hl'l umr~irtictmc. Srnd a hlank t w e wuh a ~ ~ h t cfur l ; ..l?.~lu111.tde D. sands,'Department of Chemistry, Aloutto: Dr. ~ i c h a r d fred University, Alfred, New York 14802.
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Volume 60 Number 1 1
November 1983
979
