Molecular Modeling in Undergraduate Chemistry Education

All rights reserved in all countries. No part of this book may be reproduced in any form or by any electronic or mechanical means including information storage and retrieval systems without permission in writing from the publisher, except by a reviewer who may quote brief passages in a review. Preface Over a little more than a decade, molecular modeling has evolved from a specialized research tool of limited availability and (presumed) limited utility, to an important, if not essential, means with which to explore chemistry. The obvious catalyst has been an explosion in computer technology. Today's desktop and laptop computers are as powerful as yesterdays supercomputers. Computers have become common fixtures in our lives, and are well on their way to becoming ubiquitous appliances. Also paramount has been the continued development of more and more accurate models with which to describe molecular structure and properties and chemical reactivity. Qualitative models are rapidly giving way to quantitative treatments. Finally, computer graphics has made modeling easy to learn and easy to do. It is inevitable that molecular modeling takes its rightful place in the teaching of organic chemistry. It offers a natural companion to both traditional lecture/textbook and laboratory approaches. Modeling not only facilitates communication of both concepts and content (as do lectures and textbooks), but also allows discovery of " new chemistry " (as does a laboratory). Because molecular models offer an incredibly rich source of visual and quantitative information, they can be used to great effect to enhance traditional lectures and classroom discussions. More important, students can use models in a number of different ways on their own personal computers to learn and explore chemistry: Students can study any of the hundreds of molecular models contained on the CDROM that is included with " The Molecular Modeling Workbook for Organic Chemistry " 1. And, by solving the problems in the Workbook, they can also learn a great deal of organic chemistry while simultaneously learning how to work with molecular modeling data. Two different selections of problems (and associated models) from the workbook have now been produced as supplements for the popular organic chemistry textbooks of Wade 2 and Bruice 3. In addition, molecular models have now been integrated into the fifth i edition of McMurry's " Organic Chemistry " 4 and into the fourth edition of Carey's " Organic Chemistry " 5. Students can also use actual molecular modeling programs …