Landolt-Börnstein / New Series

Landolt-Börnstein / New Series

Landolt-Börnstein Numerical Data and Functional Relationships in Science and Technology New Series Editor in Chief: W. Martienssen Units and Fundamental Constants in Physics and Chemistry Elementary Particles, Nuclei and Atoms (Group I) (Formerly: Nuclear and Particle Physics) Molecules and Radicals (Group II) (Formerly: Atomic and Molecular Physics) Condensed Matter (Group III) (Formerly: Solid State Physics) Physical Chemistry (Group IV) (Formerly: Macroscopic Properties of Matter) Geophysics (Group V) Astronomy and Astrophysics (Group VI) Biophysics (Group VII) Advanced Materials and Technologies (Group VIII) Some of the group names have been changed to provide a better description of their contents.

Landolt-Börnstein Numerical Data and Functional Relationships in Science and Technology New Series / Editor in Chief: W. Martienssen Group III: Condensed Matter Volume 35 Nuclear Magnetic Resonance Data Subvolume F Chemical Shifts and Coupling Constants for Silicon-29 Editors R.R. Gupta, M.D. Lechner Authors H.C. Marsmann, F. Uhlig and R.R. Gupta, M.D. Lechner, B.M. Mikhova

ISSN 1615-1925 (Condensed Matter) ISBN 978-3-540-45277-5 Springer Berlin Heidelberg New York Library of Congress Cataloging in Publication Data Zahlenwerte und Funktionen aus Naturwissenschaften und Technik, Neue Serie Editor in Chief: W. Martienssen Vol. III/35F: Editors: R.R. Gupta, M.D. Lechner At head of title: Landolt-Börnstein. Added t.p.: Numerical data and functional relationships in science and technology. Tables chiefly in English. Intended to supersede the Physikalisch-chemische Tabellen by H. Landolt and R. Börnstein of which the 6th ed. began publication in 1950 under title: Zahlenwerte und Funktionen aus Physik, Chemie, Astronomie, Geophysik und Technik. Vols. published after v. 1 of group I have imprint: Berlin, New York, Springer-Verlag Includes bibliographies. 1. Physics--Tables. 2. Chemistry--Tables. 3. Engineering--Tables. I. Börnstein, R. (Richard), 1852-1913. II. Landolt, H. (Hans), 1831-1910. III. Physikalisch-chemische Tabellen. IV. Title: Numerical data and functional relationships in science and technology. QC61.23 502'.12 62-53136 This work is subject to copyright. All rights are reserved, whether the whole or part of the material is concerned, specifically the rights of translation, reprinting, reuse of illustrations, recitation, broadcasting, reproduction on microfilm or in other ways, and storage in data banks. Duplication of this publication or parts thereof is permitted only under the provisions of the German Copyright Law of September 9, 1965, in its current version, and permission for use must always be obtained from Springer-Verlag. Violations are liable for prosecution act under German Copyright Law. Springer is a part of Springer Science+Business Media springeronline.com Springer-Verlag Berlin Heidelberg 2008 Printed in Germany The use of general descriptive names, registered names, trademarks, etc. in this publication does not imply, even in the absence of a specific statement, that such names are exempt from the relevant protective laws and regulations and therefore free for general use. Product Liability: The data and other information in this handbook have been carefully extracted and evaluated by experts from the original literature. Furthermore, they have been checked for correctness by authors and the editorial staff before printing. Nevertheless, the publisher can give no guarantee for the correctness of the data and information provided. In any individual case of application, the respective user must check the correctness by consulting other relevant sources of information. Cover layout: Erich Kirchner, Heidelberg Typesetting: Authors and Redaktion Landolt-Börnstein, Darmstadt Printing and Binding: AZ Druck, Kempten SPIN: 10783422 63/3020-5 4 3 2 1 0 Printed on acid-free paper

Preface Nuclear Magnetic Resonance (NMR) is based on the fact that certain nuclei exhibit a magnetic moment, oriented by a magnetic field, and absorb characteristic frequencies in the radiofrequency part of the spectrum. The spectral lines of the nuclei are highly influenced by the chemical environment, i.e. the structure and interaction of the molecules. Magnetic properties of nuclei have been known since 1924 and the first Nuclear Magnetic Resonance experiment was performed in 1945. NMR is now the leading technique and a powerful tool for the investigation of the structure and interaction of molecules. The present Landolt-Börnstein volume III/35 "Nuclear Magnetic Resonance (NMR) Data" is therefore of major interest to all scientists and engineers who intend to use NMR to study the structure and the binding of molecules. Volume III/35 is divided into several subvolumes and parts. Subvolume III/35A contains the nuclei 11 B and 31 P, subvolume III/35B contains the nuclei 19 F and 15 N, subvolume III/35C contains the nucleus 1 H, subvolume III/35D contains the nucleus 13 C, subvolume III/35E contains the nucleus 17 O, subvolume III/35F contains the nucleus 29 Si, and subvolume III/35G contains the nucleus 77 Se. More nuclei will be presented later. The chemical shifts δ (in ppm) and the coupling constant J (in Hz) are given along with the complete references for the compounds in this volume. The data are arranged according to the compounds. The compounds are arranged according to structural points of view. Additionally the complete structural formulae are given (see Introduction). The complete data including the structural formulae are also available online: browse through the electronic version of this volume on the Landolt-Börnstein website www.landolt-boernstein.com. You can directly jump into the PDF data files and search for substances, references, chemical shifts, coupling constants and so on with the full text search engine. Additionally, it is possible to get the computerized data from the electronic version for numerical calculations and graphical presentations. The editors and the authors kindly acknowledge the support of R. Poerschke, T. Schwaibold, and A. Endemann from Springer-Verlag. The publisher and the editor are confident that this volume will increase the use of the "Landolt-Börnstein". Osnabrück, May 2008 The Editors

Editors Gupta, R.R. Department of Chemistry Rajasthan University Jaipur-302004, India Lechner, M. D. Institut für Physikalische Chemie Universität Osnabrück D-49069 Osnabrück, Germany Authors Silicon-29 NMR data Marsmann, H.C. Department für Chemie Universität Paderborn Warburger Str. 100 D-33098 Paderborn, Germany Uhlig, F. Institute of Inorganic Chemistry Graz University of Technology Stremayrgasse 16 A-8010 Graz, Austria

Contributors VII Authors Introduction Gupta, R.R. Department of Chemistry Rajasthan University Jaipur-302004, India Lechner, M. D. Institut für Physikalische Chemie Universität Osnabrück D-49069 Osnabrück, Germany Marsmann, H.C. Department für Chemie Universität Paderborn Warburger Str. 100 D-33098 Paderborn, Germany Mikhova, B.M. Institute of Organic Chemistry Bulgarian Academy of Science 1113 Sofia, Bulgaria Uhlig, F. Institute of Inorganic Chemistry Graz University of Technology Stremayrgasse 16 A-8010 Graz, Austria Landolt-Börnstein Editorial Office Gagernstr. 8, D-64283 Darmstadt, Germany fax: +49 (6151) 171760 e-mail: Redaktion.Landolt-Boernstein@springer.com Internet www.landolt-boernstein.com

Contents III/35 Nuclear Magnetic Resonance Data F: Chemical Shifts and Coupling Constants for Silicon-29 1 General Introduction (R.R. GUPTA, M.D. LECHNER, H.C. MARSMANN, B.M. MIKHOVA, F. UHLIG)... 1 1.1 Magnetic Properties of Nuclei... 1 1.2 Spinning Nuclei in Magnetic Fields... 2 1.3 Theory of Nuclear Resonance... 3 1.4 Chemical Shift... 5 1.5 Coupling Constant... 6 1.6 Introduction into 29 Si-NMR Spectroscopy... 6 1.7 References for 1... 8 2 Detection of 29 Si NMR Signals (H.C. MARSMANN, F. UHLIG)... 9 2.1 General Considerations... 9 2.2 Pulse Sequences... 9 2.3 Referencing... 10 2.4 References for 2... 11 3 Chemical Shift (H.C. MARSMANN, F. UHLIG)...12 3.1 Theory and General Remarks... 12 3.1.1 General Considerations... 12 3.1.2 Empirical Descriptions of 29 Si Chemical Shifts... 12 3.1.3 Semi- and Non-Empirical Treatments of 29 Si Chemical Shifts... 15 3.1.4 Special Effects in 29 Si NMR... 19 3.1.4.1 Influence of Ring Strain... 19 3.1.4.2 Higher Coordination Numbers... 19 3.1.4.3 Solvent Effects... 20 3.2 Chemical Shifts of Relevant Classes in Silicon Chemistry... 21 3.2.1 Silicon with the Coordination Number Four... 21 3.2.1.1 Organosilanes... 21 3.2.1.2 Oxygen-Containing Silicon Compounds... 22 3.2.1.2.1 Siloxanes... 22 3.2.1.2.2 Trimethylsiloxy derivatives... 22 3.2.1.2.3 Silicones, Silsesquioxanes... 24 3.2.1.2.4 Aqueous Silicates... 24 3.2.1.2.5 Silicate Solids, Alumosilicates... 25 3.2.1.2.6 Silicate Glasses and Gels... 25 3.2.1.3 Oligo- and Polysilanes... 26 3.2.1.3.1 Empirical Observations on Linear and Branched Oligosilanes... 26 3.2.1.3.2 Cyclic Oligosilanes... 28 3.2.1.4 Silicon-Nitrogen-Compounds... 32 3.2.1.5 Silicon Bonded to Metals Main Group Derivatives, Classical and Non Classical Complexes... 34 3.2.2 Silicon with Low Coordination Numbers... 35 3.2.2.1 Disilenes... 35 3.2.2.2 Silenes... 37 3.2.2.2.1 Carbosilenes... 37 3.2.2.2.2 Other Group 14 Silenes... 38

Contents IX 3.2.2.2.3 Phosphasilenes... 40 3.2.2.2.4 Shift Range of Silenes... 40 3.2.3 Silicon with High Coordination Numbers... 41 3.3 References for 3... 43 4 29 Si NMR Data of Selected Compounds (H.C. MARSMANN, F. UHLIG)... 47 4.1 Disilenes and Silenes... 47 4.2 Silicon with Coordination Number 4... 51 4.2.1 Trimethylsilyl-Substituted Derivatives... 51 4.2.2 Dimethylsilyl-Substituted Derivatives... 132 4.2.3 Halogen-Substituted Silicon Derivatives... 214 4.2.4 Dihalogene-Substituted Silicon Derivatives... 266 4.2.5 Trihalogene-Substituted Silicon Derivatives... 293 4.2.6 Siloxanes... 320 4.2.7 Diphenylsilanes... 349 4.2.8 Triarylsilanes... 418 4.2.9 Selected Transition Metal Silicon Derivatives... 429 4.3 References for 4... 448