close

Вход

Забыли?

вход по аккаунту

?

Book Review Intermolecular Forces. An Introduction to Modern Methods and Results. Edited by P. L. Huyskens W. A. P. Luck and T

код для вставкиСкачать
ular (insertion) and intermolecular reactions. These Japanese
authors describe how, thanks to the enormous computing
capacities that have become available in the last few years,
ab-initio methods can now be applied not only to calculations of molecular geometry, but also in many cases to reaction profiles of catalytic cycles. To complete this group of
topics, in Chapter 7 Daniel and Veillard discuss theoretical
aspects of the photochemistry of hydrido complexes.
The last three chapters are devoted to some properties of
hydrido complexes in solution. Bullock gives a detailed account of results on isotope effects in hydrido complexes, and
an excellent review of isotope exchange methods as an important tool for mechanistic studies. In the following chapter
Kristjinsdottir and Norton describe results from the extensive studies carried out in Norton’s group on the determination of the acidity of hydrido-transition metal complexes.
The tables of pK, values given here will certainly be very
useful for comparison purposes. Lastly, Labinger discusses
the very interesting question of exactly what is meant by
hydride character, and considers which factors influence the
nucleophilic properties of hydrido-metal complexes.
The editor Dedieu then rounds off the book with some
general comments on the topics treated. The differences in
layout and presentation that are often unavoidable in multiauthor works, but are nevertheless a continual source of
irritation, have been successfully minimized here, and the
book is virtually free of printing errors. With its over
1000 literature references and detailed subject index, it offers
readers with an interest in this field an up-to-date overview
of theoretical and physicochemical aspects of hydridotransition metal complexes.
Jun Okuda
Department of Chemistry
State University of New York, Albany (USA)
Metal-Surface Reaction Energetics. Theory and Applications
to Heterogeneous Catalysis, Chemisorption, and Surface
Diffusion. Edited by E. Shustorovich. VCH Publishers,
New York/VCH Verlagsgesellschaft, Weinheim, 1991.
XII, 232 pp., hardcover DM 144.00.-ISBN 0-89573-776013-527-27938-5
The interaction of gases with surfaces is an area of chemistry that has been studied intensively for many years. This
book offers, in five chapters, a review of theoretical methods
for describing the energetics of interactions between gases
and metal surfaces, including surface diffusion, dissociative
and non-dissociative chemisorption, and catalytic processes.
The individual chapters are rounded off by comparing theoretical results with experimental data.
The first chapter (approx. 50 pp.) is concerned with the
study of adsorption energies and dissociative reaction pathways using quantum-chemical cluster calculations. After introducing the theoretical concept of cluster calculations,
P. E. Siegbahn and U. Wahlgren discuss its capabilities and
practical limitations with the help of a number of examples.
This chapter impresses by its straightforward presentation of
the basic features of this complex topic, and it should be
understandable even by non-specialists.
In the following chapter, also of about 50 pages, J. B.
Benzinger describes thermodynamic methods for treating
the energetics of adsorption and reactions at surfaces. The
main emphasis is on applications of the bond order conservation (BOC) method to the estimation of adsorption and
reaction energies, which can then be used to determine kinet1538
0 VCH
VerlagsgesellschaffmbH, W-6940 Weinheim, 1992
ic parameters. Owing to the complexity of this field and the
scarcity of relevant thermodynamic data, the methods described here are, of course, heavily reliant on approximations and empirical procedures.
The next chapter (R. C. Baetzold, approx. 30 pp.) deals
with the diffusion of atomic and molecular adsorbates on
surfaces. This area of study, which is important in relation to
the dynamics of surface processes such as nucleation, crystal
growth, and surface reactions, again involves the application
of the BOC model.
In the fourth chapter (approx. 40 pp.) D. Halstead and S.
Holloway describe simulation calculations on dissociative
and non-dissociative adsorption using the split operator
method (example: H, on metal surfaces). In this method the
development with time of the wave function of a molecule is
treated by taking into account the translational, rotational,
and vibrational degrees of freedom when scattering occurs at
a surface potential. After introducing the method of calculation, the authors present results obtained by applying it to
model potentials with different reaction barriers.
In the final chapter (approx. 30 pp.) A. T. Bell discusses
approaches based on the BOC method for treating mechanisms and kinetics of heterogeneously catalyzed reactions.
The chapter begins with an explanation of the underlying
concept, then discusses several examples and simulation calculations aimed at determining reaction energetics and pathways.
The book is intended for scientists working in the fields of
surface chemistry or heterogeneous catalysis. Although the
individual chapters are essentially of a theoretical nature, the
material i s presented in such a way that it can also be understood by non-theoretical readers. The book can therefore be
recommended also for final year students. As it contains
many tables listing experimental and calculated energy data
for different adsorbates and a wide variety of metallic substrates, it also has some value as a work of reference. Aspects
that may be criticized are the overlapping in subject matter
between some of the chapters, and the fact that some of them
concentrate too heavily on the BOC formalism. In the preface the editor expresses the view that a mutual understanding between theoreticians and experimentalists will be of
crucial importance for future progress. This book is a very
welcome contribution towards that aim.
Helmut Kuhlenbeck
Institut fur Physikalische Chemie
der Universitat Bochum (FRG)
Intermolecular Forces. An Introduction to Modern Methods
and Results. Edited by P. L. Huyskens, HZ A . P . Luck, and
7: Zeegers-Huyskens. Springer, Berlin, 1991. X, 490 pp.,
hardcover DM 198.00.-ISBN 3-540-5341 0-5
The properties of chemical substances are greatly dependent on intermolecular interactions. In particular, the occurrence of hydrogen bonding in a substance fundamentally
affects its physical and chemical properties. Despite this,
according to the editors of this book the subject receives too
little attention in undergraduate teaching. Their book, which
is based on the contributions presented at a 1989 “Erasmus”
course, is thus seen by the editors as, not least, a stimulus for
university teachers to give the subject a greater emphasis.
A glance at the contents list of this book of 21 chapters
quickly reveals that the main emphasis is on describing recent results on hydrogen bonding. Although this is not in
keeping with the book’s title, which suggests a more general
0570-0833/92/1lll-1538$3.50+ .25/0
Angew. Chem. Int. Ed. Engl. 1992, 3f, No. 11
concern with intermolecular forces, it undoubtedly takes into account the extreme importance of hydrogen bonding in
chemistry and biochemistry. Consequently, the two articles
concerned with studies on clusters and with experiments
on molecular collisions in the gas phase seem almost
out of place in the otherwise uniformly orientated subject
matter.
The book consists of three parts. The first part contains a
general introduction to intermolecular interactions. T.
Zeegers-Huyskens and P. L. Huyskens report on cohesion
forces and on specific intermolecular forces. The first of
these two sections deals briefly with van der Waals forces,
but regrettably does not relate this topic to recent research in
the field of cluster physics. The second section discusses hydrogen bonding and related interactions and describes examples. For this introduction it would perhaps have been
better to start with van der Waals interactions, and then to
proceed via charge-transfer interactions to hydrogen bonding. However, this is put right in the second chapter by L. G.
Vanquickenborne, who is concerned solely with the quantum
chemical aspects of hydrogen bonding, and gives a detailed
description of the Morokuma model for explaining the nature of hydrogen bonding. The first part of the book concludes with chapters on “How to Understand Liquids”, by
W A. P. Luck, and “Dynamic Aspects of Intermolecular Interactions”, by L. C. M. De Maeyer.
The second part consists of eight chapters describing spectroscopic studies of intermolecular interactions. Six of these
are concerned with hydrogen bonding, mainly in the liquid
phase. A. Ceulemans gives an introduction to the theoretical
treatment of vibrational spectra of hydrogen-bonded systems. T. Zeegers-Huyskens then links this to IR spectroscopic investigations of intermolecular stretching vibrations.
W A. P. Luck discusses the application of IR overtone vibrational spectroscopy to studies of hydrogen-bonded liquids. The same author, in a further chapter entitled “Water-The Most Anomalous Liquid”, describes the unique
macroscopic properties of water and attempts to explain
their causes. K. Rademann gives a short introduction to the
various forms of spectroscopy for studying clusters in molecular beams, and shows how these new techniques can be used
to investigate intermolecular forces. This part on spectroscopic methods concludes with chapters by H. Kleeberg on
“Cooperative Effects Involved in H-Bond Formation”, by
H. H. Limbach on “NMR Studies of Elementary Steps of
Multiple Proton and Deuteron Transfers in Liquids, Crystals
and Organic Glasses”, and by G. Maes on “Matrix Spectroscopy of Hydrogen-Bonded Complexes”.
The third part consists of nine chapters describing nonspectroscopic methods of investigation. For example, U.
Buck deals with the determination of intermolecular potentials by scattering experiments with crossed molecular
beams. P. Bopp shows what can be achieved by applying
“Molecular Dynamics (MD) Computer Simulations of Hydrogen-Bonded Liquids” to the interpretation of experimental results. P. L. Huyskens and G. G. Siegel, in their article
on “Hydrogen Bonding and Entropy”, attempt a quantitative description of hydrophobic effects.
The appearance of the book gives a good impression, and
the quality of the figures and formulas is excellent. A detailed
keyword index makes it easy to find one’s way around the
many chapters. Further help in quickly locating information
is provided by the short summary given at the beginning of
each chapter, and by the contents lists for the individual
chapters. A brief examination of the ample lists of references
appended to the chapters shows that the most recent results
have been cited.
Angew. Chem. In(. Ed. Engl. 1992, 31, No. I1
0 VCH
The book can be recommended for everyone seeking a
review of the current state of research in the area of molecular interactions, especially hydrogen bonding. Unfortunately
however, recent studies using molecular beams receive only
marginal coverage. Also, the wealth of methods and results
in the rapidly growing field of research on clusters cannot be
adequately covered in only a single chapter. Nevertheless,
this is more a criticism of the choice of title for the book,
which is too general, than of the otherwise comprehensive
and well-balanced contents.
Hurald Kruuse
Institut fur Physikalische und Theoretische Chemie
der Technischen Universitat Miinchen
Garching (FRG)
Stereochemistry of Organic Compounds. Principles and Applications. By D.Nusipuri. Wiley, Chichester, 1991. XX,
527 pp., hardcover &33.95.--ISBN 0-470-21639-5
A new 500-page book on stereochemistry? One’s reaction
might be: well, at last !-this raises high expectations-but to
write such a book must be a very difficult task, in view of the
continuing rapid development of modern methods.
Nasipuri has divided his book into three main subject
areas. Following an introductory chapter on the different
types of chemical bonding and molecular geometry, he goes
on to consider increasingly complex questions of stereochemistry. The basic principles, methods of classification,
and definitions are explained with the help of good illustrations and examples of reactions. This first part, consisting of
eight chapters, is followed by a second part giving a detailed
description of molecular conformations of cyclic and acyclic
systems. The discussion includes physicochemical methods
of conformational analysis, and conformational behavior of
polycyclic and heterocyclic compounds, considering both individual examples and general characteristics. The third part
is concerned with dynamic stereochemistry, and consists of
three chapters dealing in turn with relationships between
conformation and reactivity, stereoselective transformations, and pericyclic reactions. Each chapter of the book
begins with a brief introduction outlining the main aspects of
the topics to be discussed. Occasional excursions into the
historical background serve to stimulate the reader’s interest. Each of the fifteen chapters is subdivided into numerous
sections, and ends with a brief summary and a bibliography.
The book is intended mainly for advanced undergraduate
and post-graduate students. Its greatest strength lies in the
first part, which deals with the basic concepts of organic
stereochemistry. In many places the text strikes one as material designed to accompany a course of lectures, and often
the reader will wish that the author could act as a “course
tutor” to explain difficult points. The preface indicates that
the literature references cover publications up to 1990; in
fact, most of the citations refer to older monographs, review
articles, and original papers, which describe results of fundamental importance. It is annoying to find that a lengthy
search is often needed to locate a citation in the bibliography. The citations are identified in the text by the author’s
name and the year, but instead of being listed at the end of
the chapter in alphabetical order as one would expect, they
are just given in the order of appearance in the text. The
frequency of errors is noticeably high, especially in names
(e.g., “J. N. Lehn”, p. 42; “Nogradi”, p. 404; “Grob fragmentation, Grob 1969”, p. 365; “Yamamotoa”, p. 444;
“Stereochemie der Kohlenstoffverdunger”, p. 105; and
Verlagsgesellschaft mbH, W-6940 Weinheim, 1992
OS70-0833/92jfflf-lS39
$3.50+.25/0
1539
Документ
Категория
Без категории
Просмотров
1
Размер файла
306 Кб
Теги
lucky, introduction, intermolecular, book, huyskens, method, modern, edited, results, force, review
1/--страниц
Пожаловаться на содержимое документа