CCL:orbitals and reality
- From: "Jens Spanget-Larsen"
<spanget=at=virgil.ruc.dk>
- Organization: Roskilde Universitetscenter
- Subject: CCL:orbitals and reality
- Date: Thu, 20 Jan 2005 12:15:20 +0100
Dear CCL-community!
I became curious whether the disagreement in the current
discussion on 'Orbitals and Reality' might originate in
misleading or unclear presentations in introductory chemistry
textbooks. Is the confusion introduced here, leading perhaps
to the use of improper language in scientific articles, even
by frontline researchers in leading journals?
First I looked up Zumdahl's "Chemical Principles" and found
the following careful explanation of the situation. Can it be
stated more clearly?
Yours, Jens >--<
Steven S. Zumdahl: "Chemical Principles", Fourth Edition,
Houghton Mifflin, Boston 2004. pp673-675:
"14.6 Orbitals: Human Inventions
"In the treatment of the bonding and structure in molecules we
have stressed that the descriptions we have given are models -
and simple ones, at that. These models are extraordinarily
valuable because they provide pictures in our minds of what
molecules might look like and how they might behave. This
helps us decide what questions to ask (what experiments to do)
as we try to understand more completely the complicated
behavior of matter. However, as valuable these pictures are,
we must remember that they greatly oversimplify a very complex
situation. We must realize that these models can give us a
rather superficial view that is often highly misleading.
"For example, after all of the talk about orbitals in the last
several chapters, you probably have the distinct impression
that orbitals actually exist. The truth is, they do not - at
least not in the physical sense. Orbitals are mathematical
functions - solutions to a modified Schrvdinger equation (the
changes made to allow separation into independent electron
equations).
"Thus orbitals are mathematical tools we use to describe atoms
and molecules. However, they have no physical reality in the
sense that if you could look at the water molecule you would
probably not "see" anything like the pictures we have shown in
this book. These pictures merely help us visualize the
theoretical imformation we have accumulated for water.
(...)
"The point made here is ... to make sure that you appreciate
the nature of models and that you recognize the difference
between the information learned about matter from experiments
and the information learned from theories. Because matter is
so complex, we often tailor our theories to explain a limited
area of nature so as to keep the theories simple enough to
understand and use. However, it is very dangerous to assume
that such a limited theory can then be used in a wider sense.
We must be very careful to ask proper questions of our
theories or we face the danger of being greatly misled."
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JENS SPANGET-LARSEN Office: +45 4674 2710
Department of Chemistry Fax: +45 4674 3011
Roskilde University (RUC) Mobile: +45 2320 6246
P.O.Box 260 E-Mail: spanget=at=ruc.dk
DK-4000 Roskilde, Denmark http://virgil.ruc.dk/~spanget
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