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Catalytic Reduction of Dinitrogen to Ammonia by Molybdenum: Theory versus Experiment
Abstract
Molybdenum complexes that contain the triamidoamine ligand [(RNCH 2 CH 2)3 N]3− (R=3,5‐(2,4,6‐i Pr 3 C 6 H 2)2 C 6 H 3) catalyze the reduction of dinitrogen to ammonia at 22 °C and 1 atm with protons from 2,6‐dimethylpyridinium and electrons from decamethylchromocene. Several theoretical studies have been published that bear on the proposed intermediates in the catalytic dinitrogen reduction reaction and their reaction characteristics, including DFT calculations on [(HIPTNCH 2 CH 2)3 N]Mo species (HIPT=hexaisopropylterphenyl=3,5‐(2,4,6‐i Pr 3 C 6 H 2)2 C 6 H 3), which contain the actual triamidoamine ligand that is present in catalytic intermediates. Recent theoretical findings are compared with experimental findings for each proposed step in the catalytic reaction.
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Cites
Structure–function relationships of alternative nitrogenases
Eady, R. R. (1996) · Chemical Reviews · doi:10.1021/cr950057h · Cited by 877
Cited by
Mechanism of Nitrogen Fixation by Nitrogenase: The Next Stage
Hoffman, B. M., Lukoyanov, D., Yang, Z.-Y., Dean, D. R., & Seefeldt, L. C. (2014) · Chemical Reviews · doi:10.1021/cr400641x · Cited by 1,766
Density functional theory for transition metals and transition metal chemistry
Cramer, C. J., & Truhlar, D. G. (2009) · Physical Chemistry Chemical Physics · doi:10.1039/b907148b · Cited by 1,648
Catalysts for nitrogen reduction to ammonia
Foster, S. L., Bakovic, S. I. P., Duda, R. D., Maheshwari, S., Milton, R. D., Minteer, S. D., Janik, M. J., Renner, J. N., & Greenlee, L. F. (2018) · Nature Catalysis · doi:10.1038/s41929-018-0092-7 · Cited by 1,633
Arashiba, K., Miyake, Y., & Nishibayashi, Y. (2011) · Nature Chemistry · doi:10.1038/nchem.906 · Cited by 745
Synthesis of ammonia directly from air and water at ambient temperature and pressure
Lan, R., Irvine, J. T. S., & Tao, S. (2013) · Scientific Reports · doi:10.1038/srep01145 · Cited by 416
Metadata
- Authors
- Schrock, R. R.
- Venue
- Angewandte Chemie International Edition
- Publisher
- Wiley
- Published
- 2008-07-09
- Volume
- 47
- Issue
- 30
- Pages
- 5512-5522
- ISSN
- 1433-7851 (ISSN-L)
- 1521-3773
- OpenAlex
- W1981456433
- Cited by
- 350
- References
- 1
- FWCI
- 9.01
- Type
- journal article
- Language
- en
- Open access
- closed
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- Schrock, R. R. (2008). Catalytic Reduction of Dinitrogen to Ammonia by Molybdenum: Theory versus Experiment. Angewandte Chemie International Edition. https://doi.org/10.1002/anie.200705246
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
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