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  Silaethene H2C=SiH2: Millimeter Wave Spectrum and Ab Initio Calculations

Bailleux, S., Bogey, M., Breidung, J., Bürger, H., Fajgar, R., Liu, Y., et al. (1996). Silaethene H2C=SiH2: Millimeter Wave Spectrum and Ab Initio Calculations. Angewandte Chemie, International Edition in English, 35(21), 2513-2515. doi:10.1002/anie.199625131.

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Item Permalink: http://hdl.handle.net/11858/00-001M-0000-0027-F3E4-D Version Permalink: http://hdl.handle.net/11858/00-001M-0000-0027-F3E5-B
Genre: Journal Article

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 Creators:
Bailleux, Stephane1, Author
Bogey, Marcel1, Author
Breidung, Jürgen2, Author              
Bürger, Hans3, Author
Fajgar, Radek4, Author
Liu, Yuyan1, Author
Pola, Josef4, Author
Senzlober, Michael3, Author
Thiel, Walter2, Author              
Affiliations:
1Laboratoire de Spectroscopie Hertzienne, Associé au CNRS, Université des Sciences et Technologies de Lille, F-59655 Villeneuve d'Ascq Cedex (France), ou_persistent22              
2Organisch-chemisches Institut, Universität Zürich, Winterthurerstrasse 190, CH-8057 Zürich, Switzerland, ou_persistent22              
3Anorganische Chemie, FB 9 der Universität-Gesamthochschule, D-42097 Wuppertal (Germany), ou_persistent22              
4Institute of Chemical Process Fundamentals, Academy of Sciences, 16502, Prague 6 (Czech Republic), ou_persistent22              

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Free keywords: ab initio calculations; millimeterwave spectroscopy; silicon compounds; structure elucidation
 Abstract: 139 rotational lines of the 28Si isotopomer of free silaethene H2C=SiH2 (1) have been observed in the gas phase by millimeter wave spectroscopy. The search was guided by ab initio calculations at the MP2, CCSD, and CCSD(T) levels with TZ2Pf basis sets. The rotational constants determined experimentally and by ab initio methods for 1 with a planar C2v-symmetric structure agree within about 0.5%. Compound 1 was best produced by vacuum pyrolysis of 5,6-bis(trifluoromethyl)-2-silabicyclo[2.2.2]octa-5,7-diene in an Ar stream; 1 decomposes exponentially with a 1/e lifetime at ambient temperature of 30±2 ms.

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Language(s): eng - English
 Dates: 1996-05-202003-12-221996-11-18
 Publication Status: Published in print
 Pages: 3
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1002/anie.199625131
 Degree: -

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Title: Angewandte Chemie, International Edition in English
  Other : Angewandte Chemie International Edition in English
  Abbreviation : Angew. Chem. Int. Ed. Engl.
Source Genre: Journal
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Publ. Info: Weinheim : Wiley-VCH Verlag GmbH & Co. KGa
Pages: - Volume / Issue: 35 (21) Sequence Number: - Start / End Page: 2513 - 2515 Identifier: ISSN: 0570-0833
CoNE: https://pure.mpg.de/cone/journals/resource/0570-0833