ansa-metallocene derivatives XX. An assignment of 1H- and 13C-NMR signals in ansa-metallocene complexes with 16-electron and 18-electron configuration

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1990
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Gutmann, Stephan
Prosenc, Marc-Heinrich
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Journal of Organometallic Chemistry. 1990, 397(1), pp. 21-28. ISSN 0022-328X. Available under: doi: 10.1016/0022-328X(90)85310-U
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The NMR signals of cyclopentadienyl ring protons and C atoms in ansa-metallocene derivatives of general type (CH3)4C2(C5H4)2M(X,L)n, with a 16-electron configuration, i.e. with MXn = TiF2, TiCl2, TiBr2, TiI2 or Ti(CH3)2, and with an 18-electron configuration, i.e. with MLn = Ti(CO)2, Ti(P(CH3)3)2, Cr(CO) or Fe, have been assigned to the α- and β-ring positions by nuclear Overhauser effect and selective decoupling studies. Whereas the α-proton resonances appear at higher fields than those for the β-protons in all the complexes with the 16-electron configuration, the opposite is the case for the 18-electron ansa-metallocene derivatives studied.

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ISO 690GUTMANN, Stephan, Peter BURGER, Marc-Heinrich PROSENC, Hans-Herbert BRINTZINGER, 1990. ansa-metallocene derivatives XX. An assignment of 1H- and 13C-NMR signals in ansa-metallocene complexes with 16-electron and 18-electron configuration. In: Journal of Organometallic Chemistry. 1990, 397(1), pp. 21-28. ISSN 0022-328X. Available under: doi: 10.1016/0022-328X(90)85310-U
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@article{Gutmann1990ansam-23946,
  year={1990},
  doi={10.1016/0022-328X(90)85310-U},
  title={ansa-metallocene derivatives XX. An assignment of <sup>1</sup>H- and <sup>13</sup>C-NMR signals in ansa-metallocene complexes with 16-electron and 18-electron configuration},
  number={1},
  volume={397},
  issn={0022-328X},
  journal={Journal of Organometallic Chemistry},
  pages={21--28},
  author={Gutmann, Stephan and Burger, Peter and Prosenc, Marc-Heinrich and Brintzinger, Hans-Herbert}
}
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    <dcterms:abstract xml:lang="eng">The NMR signals of cyclopentadienyl ring protons and C atoms in ansa-metallocene derivatives of general type (CH&lt;sub&gt;3&lt;/sub&gt;)&lt;sub&gt;4&lt;/sub&gt;C&lt;sub&gt;2&lt;/sub&gt;(C&lt;sub&gt;5&lt;/sub&gt;H&lt;sub&gt;4&lt;/sub&gt;)&lt;sub&gt;2&lt;/sub&gt;M(X,L)&lt;sub&gt;n&lt;/sub&gt;, with a 16-electron configuration, i.e. with MX&lt;sub&gt;n&lt;/sub&gt; = TiF&lt;sub&gt;2&lt;/sub&gt;, TiCl&lt;sub&gt;2&lt;/sub&gt;, TiBr&lt;sub&gt;2&lt;/sub&gt;, TiI&lt;sub&gt;2&lt;/sub&gt; or Ti(CH&lt;sub&gt;3&lt;/sub&gt;)&lt;sub&gt;2&lt;/sub&gt;, and with an 18-electron configuration, i.e. with MLn = Ti(CO)&lt;sub&gt;2&lt;/sub&gt;, Ti(P(CH&lt;sub&gt;3&lt;/sub&gt;)&lt;sub&gt;3&lt;/sub&gt;)&lt;sub&gt;2&lt;/sub&gt;, Cr(CO) or Fe, have been assigned to the α- and β-ring positions by nuclear Overhauser effect and selective decoupling studies. Whereas the α-proton resonances appear at higher fields than those for the β-protons in all the complexes with the 16-electron configuration, the opposite is the case for the 18-electron ansa-metallocene derivatives studied.</dcterms:abstract>
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