文档介绍：CHEMICAL BONDING AND
- .. .. -- - - - ~ ..- - ~ . - .
MOLECULAR GEOMETRY
•••
From Lewis to Electron Densities
Ronald J. Gillespie
McMaster University
Paul L. A. Popelier
University of Manchester Institute ofScience and Technology
New York Oxford
OXFORD UNIVERSITY PRESS
2001
Oxford University Press
Oxford New York
Athens Auckland Bangkok Bogota Buenos Aires Calcutta
Cape Town Chennai Dar es Salaam Delhi Florence Hong Kong Istanbul
Karachi Kuala Lumpur Madrid Melbourne Mexico City Mumbai
Nairobi Paris Sao Paulo Shanghai Singapore Taipei Tokyo Toronto Warsaw
and panies in
Berlin Ibadan
Copyright © 2001 by Oxford University Press, Inc.
Published by Oxford University Press, Inc.
198 Madison Avenue, New York, New York, 10016
Oxford is a registered trademark of Oxford University Press
All rights reserved. No part of this publication may be reproduced,
stored in a retrieval system, or transmitted, in any form or by any means,
electronic, mechanical, photocopying, recording, or otherwise,
without the prior permission of Oxford University Press.
Library of Congress Cataloging-in-Publication Data
Gillespie, Ronald J. (Ronald James)
Chemical bonding and molecular geometry from Lewis to electron densities / .
Gillespie, . Popelier.
p. cm.-(Topics in anic chemistry)
Includes bibliographical references and index.
ISBN 0-19-510496-X (ppk), 0-19-510495-1 (cloth)
I. Chemical bonds-History. 2. Molecules-Models. I. Popelier, . II. Title. III.
Series
-dc21 00-025404
Cover Illustration: Representations of the SClz molecule. Center: Surfaces of the function
L = - V2 p for L = 0 au (blue) and L = au (orange). The L = surface shows the
charge concentations corresponding to the lone pairs on the sulfur atom and torodial charge
concentrations on each chlorine atom (see also Figure ). Top left: The Lewis Struclure.
Top right: The VESPR model. Bottom left: Contour map of the electron