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Vinylsilylferrocenes and Ethynyl(vinyl)silylferrocenes. Synthesis, Multinuclear Magnetic Resonance Study and DFT Calculations
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Zeitschriftentitel: | Zeitschrift für Naturforschung B |
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Personen und Körperschaften: | , |
In: | Zeitschrift für Naturforschung B, 69, 2014, 6, S. 704-714 |
Format: | E-Article |
Sprache: | Englisch |
veröffentlicht: |
Walter de Gruyter GmbH
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Schlagwörter: |
author_facet |
Wrackmeyer, Bernd Klimkina, Elena V. Wrackmeyer, Bernd Klimkina, Elena V. |
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author |
Wrackmeyer, Bernd Klimkina, Elena V. |
spellingShingle |
Wrackmeyer, Bernd Klimkina, Elena V. Zeitschrift für Naturforschung B Vinylsilylferrocenes and Ethynyl(vinyl)silylferrocenes. Synthesis, Multinuclear Magnetic Resonance Study and DFT Calculations General Chemistry |
author_sort |
wrackmeyer, bernd |
spelling |
Wrackmeyer, Bernd Klimkina, Elena V. 1865-7117 0932-0776 Walter de Gruyter GmbH General Chemistry http://dx.doi.org/10.5560/znb.2014-4020 <jats:p>Ferrocenylsilanes with various functions at silicon (chlorine, vinyl, ethynyl) were prepared and studied by multinuclear magnetic resonance methods (<jats:sup>1</jats:sup>H, <jats:sup>13</jats:sup>C, <jats:sup>29</jats:sup>Si NMR spectroscopy). The gasphase geometries of the silanes were optimized by calculations at the B3LYP=6-311+G(d,p) level of theory, and NMR parameters (chemical shifts δ13C, δ29Si, spin-spin coupling constants) were calculated at the same level of theory.</jats:p> Vinylsilylferrocenes and Ethynyl(vinyl)silylferrocenes. Synthesis, Multinuclear Magnetic Resonance Study and DFT Calculations Zeitschrift für Naturforschung B |
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10.5560/znb.2014-4020 |
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Walter de Gruyter GmbH, 2014 |
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Walter de Gruyter GmbH, 2014 |
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2014 |
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Walter de Gruyter GmbH |
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title |
Vinylsilylferrocenes and Ethynyl(vinyl)silylferrocenes. Synthesis, Multinuclear Magnetic Resonance Study and DFT Calculations |
title_unstemmed |
Vinylsilylferrocenes and Ethynyl(vinyl)silylferrocenes. Synthesis, Multinuclear Magnetic Resonance Study and DFT Calculations |
title_full |
Vinylsilylferrocenes and Ethynyl(vinyl)silylferrocenes. Synthesis, Multinuclear Magnetic Resonance Study and DFT Calculations |
title_fullStr |
Vinylsilylferrocenes and Ethynyl(vinyl)silylferrocenes. Synthesis, Multinuclear Magnetic Resonance Study and DFT Calculations |
title_full_unstemmed |
Vinylsilylferrocenes and Ethynyl(vinyl)silylferrocenes. Synthesis, Multinuclear Magnetic Resonance Study and DFT Calculations |
title_short |
Vinylsilylferrocenes and Ethynyl(vinyl)silylferrocenes. Synthesis, Multinuclear Magnetic Resonance Study and DFT Calculations |
title_sort |
vinylsilylferrocenes and ethynyl(vinyl)silylferrocenes. synthesis, multinuclear magnetic resonance study and dft calculations |
topic |
General Chemistry |
url |
http://dx.doi.org/10.5560/znb.2014-4020 |
publishDate |
2014 |
physical |
704-714 |
description |
<jats:p>Ferrocenylsilanes with various functions at silicon (chlorine, vinyl, ethynyl) were prepared and studied by multinuclear magnetic resonance methods (<jats:sup>1</jats:sup>H, <jats:sup>13</jats:sup>C, <jats:sup>29</jats:sup>Si NMR spectroscopy). The gasphase geometries of the silanes were optimized by calculations at the B3LYP=6-311+G(d,p) level of theory, and NMR parameters (chemical shifts δ13C, δ29Si, spin-spin coupling constants) were calculated at the same level of theory.</jats:p> |
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author | Wrackmeyer, Bernd, Klimkina, Elena V. |
author_facet | Wrackmeyer, Bernd, Klimkina, Elena V., Wrackmeyer, Bernd, Klimkina, Elena V. |
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container_title | Zeitschrift für Naturforschung B |
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description | <jats:p>Ferrocenylsilanes with various functions at silicon (chlorine, vinyl, ethynyl) were prepared and studied by multinuclear magnetic resonance methods (<jats:sup>1</jats:sup>H, <jats:sup>13</jats:sup>C, <jats:sup>29</jats:sup>Si NMR spectroscopy). The gasphase geometries of the silanes were optimized by calculations at the B3LYP=6-311+G(d,p) level of theory, and NMR parameters (chemical shifts δ13C, δ29Si, spin-spin coupling constants) were calculated at the same level of theory.</jats:p> |
doi_str_mv | 10.5560/znb.2014-4020 |
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institution | DE-Gla1, DE-Zi4, DE-15, DE-Rs1, DE-Pl11, DE-105, DE-14, DE-Ch1, DE-L229, DE-D275, DE-Bn3, DE-Brt1, DE-Zwi2, DE-D161 |
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mega_collection | Walter de Gruyter GmbH (CrossRef) |
physical | 704-714 |
publishDate | 2014 |
publishDateSort | 2014 |
publisher | Walter de Gruyter GmbH |
record_format | ai |
recordtype | ai |
series | Zeitschrift für Naturforschung B |
source_id | 49 |
spelling | Wrackmeyer, Bernd Klimkina, Elena V. 1865-7117 0932-0776 Walter de Gruyter GmbH General Chemistry http://dx.doi.org/10.5560/znb.2014-4020 <jats:p>Ferrocenylsilanes with various functions at silicon (chlorine, vinyl, ethynyl) were prepared and studied by multinuclear magnetic resonance methods (<jats:sup>1</jats:sup>H, <jats:sup>13</jats:sup>C, <jats:sup>29</jats:sup>Si NMR spectroscopy). The gasphase geometries of the silanes were optimized by calculations at the B3LYP=6-311+G(d,p) level of theory, and NMR parameters (chemical shifts δ13C, δ29Si, spin-spin coupling constants) were calculated at the same level of theory.</jats:p> Vinylsilylferrocenes and Ethynyl(vinyl)silylferrocenes. Synthesis, Multinuclear Magnetic Resonance Study and DFT Calculations Zeitschrift für Naturforschung B |
spellingShingle | Wrackmeyer, Bernd, Klimkina, Elena V., Zeitschrift für Naturforschung B, Vinylsilylferrocenes and Ethynyl(vinyl)silylferrocenes. Synthesis, Multinuclear Magnetic Resonance Study and DFT Calculations, General Chemistry |
title | Vinylsilylferrocenes and Ethynyl(vinyl)silylferrocenes. Synthesis, Multinuclear Magnetic Resonance Study and DFT Calculations |
title_full | Vinylsilylferrocenes and Ethynyl(vinyl)silylferrocenes. Synthesis, Multinuclear Magnetic Resonance Study and DFT Calculations |
title_fullStr | Vinylsilylferrocenes and Ethynyl(vinyl)silylferrocenes. Synthesis, Multinuclear Magnetic Resonance Study and DFT Calculations |
title_full_unstemmed | Vinylsilylferrocenes and Ethynyl(vinyl)silylferrocenes. Synthesis, Multinuclear Magnetic Resonance Study and DFT Calculations |
title_short | Vinylsilylferrocenes and Ethynyl(vinyl)silylferrocenes. Synthesis, Multinuclear Magnetic Resonance Study and DFT Calculations |
title_sort | vinylsilylferrocenes and ethynyl(vinyl)silylferrocenes. synthesis, multinuclear magnetic resonance study and dft calculations |
title_unstemmed | Vinylsilylferrocenes and Ethynyl(vinyl)silylferrocenes. Synthesis, Multinuclear Magnetic Resonance Study and DFT Calculations |
topic | General Chemistry |
url | http://dx.doi.org/10.5560/znb.2014-4020 |