| Publication type: | Article in scientific journal |
| Type of review: | Peer review (publication) |
| Title: | A combined gas-phase, solution-phase, and computational study of C−H activation by cationic iridium(III) complexes |
| Authors: | Hinderling, Christian Feichtinger, Derek Plattner, Dietmar A. Chen, Peter |
| DOI: | 10.1021/ja970995u |
| Published in: | Journal of the American Chemical Society |
| Volume(Issue): | 119 |
| Issue: | 44 |
| Page(s): | 10793 |
| Pages to: | 10804 |
| Issue Date: | 1997 |
| Publisher / Ed. Institution: | American Chemical Society |
| ISSN: | 0002-7863 1520-5126 |
| Language: | English |
| Subjects: | C-H activation; Mechanism; Iridium |
| Subject (DDC): | 540: Chemistry |
| Abstract: | A combination of electrospray ionization MS/MS techniques, isotopic labeling experiments in the gas-phase and solution, and ab initio calculations is used to study the C−H activation reactions of [Cp*Ir(PMe3)(CH3)]+ and [CpIr(PMe3)(CH3)]+. The reaction in the gas phase was found to proceed through a Cp or [Cp*Ir(η2-CH2PMe2)]+ intermediate. Quantitative collision-induced dissociation (CID) threshold measurements were used along with general models for ion−molecule reactions to construct potential energy diagrams which rationalize the gas-phase results. The comparison between the two complexes, and between the reactions in the gas phase and in solution, suggests that the reaction through the intermediacy of a metallaphosphacyclopropane could be favored over the conventional (and simpler) oxidative addition/reductive elimination mechanism when the Ir(III) complex is rendered more electron deficient. |
| URI: | https://digitalcollection.zhaw.ch/handle/11475/13740 |
| Fulltext version: | Published version |
| License (according to publishing contract): | Licence according to publishing contract |
| Departement: | Life Sciences and Facility Management |
| Organisational Unit: | Institute of Chemistry and Biotechnology (ICBT) |
| Appears in collections: | Publikationen Life Sciences und Facility Management |
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Hinderling, C., Feichtinger, D., Plattner, D. A., & Chen, P. (1997). A combined gas-phase, solution-phase, and computational study of C−H activation by cationic iridium(III) complexes. Journal of the American Chemical Society, 119(44), 10793–10804. https://doi.org/10.1021/ja970995u
Hinderling, C. et al. (1997) ‘A combined gas-phase, solution-phase, and computational study of C−H activation by cationic iridium(III) complexes’, Journal of the American Chemical Society, 119(44), pp. 10793–10804. Available at: https://doi.org/10.1021/ja970995u.
C. Hinderling, D. Feichtinger, D. A. Plattner, and P. Chen, “A combined gas-phase, solution-phase, and computational study of C−H activation by cationic iridium(III) complexes,” Journal of the American Chemical Society, vol. 119, no. 44, pp. 10793–10804, 1997, doi: 10.1021/ja970995u.
HINDERLING, Christian, Derek FEICHTINGER, Dietmar A. PLATTNER und Peter CHEN, 1997. A combined gas-phase, solution-phase, and computational study of C−H activation by cationic iridium(III) complexes. Journal of the American Chemical Society. 1997. Bd. 119, Nr. 44, S. 10793–10804. DOI 10.1021/ja970995u
Hinderling, Christian, Derek Feichtinger, Dietmar A. Plattner, and Peter Chen. 1997. “A Combined Gas-Phase, Solution-Phase, and Computational Study of C−H Activation by Cationic iridium(III) Complexes.” Journal of the American Chemical Society 119 (44): 10793–804. https://doi.org/10.1021/ja970995u.
Hinderling, Christian, et al. “A Combined Gas-Phase, Solution-Phase, and Computational Study of C−H Activation by Cationic iridium(III) Complexes.” Journal of the American Chemical Society, vol. 119, no. 44, 1997, pp. 10793–804, https://doi.org/10.1021/ja970995u.
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