Subject: Summary: Gas phase data

From: [email-masked] (Per-Ola Norrby)
Date: Wed, 1 Feb 1995 13:54:50 +0100

Dear CCL:ers

        This may be a bit premature for a summary, but I have had some
interesting responses.  Many thanks to all who responded.

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Juergen Vogt wrote:

>Our documentation group
>has established a molecular physical and structural chemical database. Its
>name is MOGADOC and deals with substances which were studied by microwave
>spectroscopy, electron diffraction or molecular radio astronmy in the gas
>phase. This comprehensive database has presently about 22000 bibliographic
>entries for about 6000 compounds, inorganic, organic and organometallic
>substances as well. It is distributed by FIZ Karlsruhe on diskette or CD-ROM.
>Among our customers there some theoretical chemists. Moreover the last
>update contains 3000 numerical datasets concerning bond distancies and angles.
>
>If you need more information please let me know.
>
>    Yours sincerely
>
>   Juergen Vogt
>
>   Sektion fuer Spektren-
>
>   und Strukturdokumentation
>   University of Ulm
>   D-89069 Ulm
>   Germany
>
>   Tel.  (+49) 731 4014-105
>   Fax.  (+49) 731 4014-117

        The email address is: [email-masked]

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        Another pointer to this database arrived from Ingo Steller:

>A searcheable database for microwabe and electron diffraction data is
>MOGADOC. It is a commercial program distributed in germany by
>Fachinformationszentrum Karlsruhe, Germany. Also I think the
>searchalgorithm is very bad (no structure search, only sum formulas), due
>to the number of structures you can work with it. In the database you
>will find all electron diffraction data from 1930 to now and all
>microwave data from (I think) 1950 to now.
>You can find a publication about the database in
>
>J. Vogt, Struct. Chem. 1992, Vol. 3, p ??? (I only have the masterprint)
>Perhaps you can mail the author under the following address:
>
>[email-masked]

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Thomas R. Cundari wrote:

>        A good ref w/ numerous gas-phase data is the review by Hargittai.
>
>M. Hargittai, Coord. Chem. Rev., 91, 35 (1988).  Gas Phase Structure of Metal
>Halides.
>
>It is confined to metal halides and has a section on transition metal systems.
>
>I may be able to find individual references in our recent paper (M. T. Benson,
>T. R. Cundari, S. J. Lim, H. D. Nguyen, K. Pierce-Beaver J. Am. Chem. Soc.
>1994, 116, 3955 - 3966.)  to work by individual groups by folks big in electron
>diffraction of metal complexes, but I suspect they are well known to you
>(Haaland, Page, etc.).
>
>Another ref I suspect you have seen is the book on multiply bonded complexes by
>Nugent and Mayer.  There is a complete chapter on structures (mostly X-ray but
>some gas-phase ED structures) and one on vibrational data.

[some deleted]

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Helder M. Marques wrote:

>I don't know how many metal-containing structures there are in the
>collection, but you might want to check Harmony et al, J Phys Chem
>Ref Data, 8(3), 617, 1979.  I'd be interested in seeing your summary.

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        Per-Ola Norrby

 *  Per-Ola Norrby
 *  The Royal Danish School of Pharmacy, Dept. of Med. Chem.
 *  Universitetsparken 2, DK 2100 Copenhagen, Denmark
 *  tel. +45-35376777-506, +45-35370850    fax +45-35372209
 *  Internet: [email-masked]