The DOI matches its Crossref record; 1 of the 1 references it cites were found in a registry or an index.
Computed Ligand Electronic Parameters from Quantum Chemistry and Their Relation to Tolman Parameters, Lever Parameters, and Hammett Constants
Abstract
The calculated (DFT, B3PW91) A(1) nu(CO) frequency in LNi(CO)(3) defines an electronic parameter that reliably predicts the relative donor powers of a wide variety of cationic, neutral, and negatively charged ligands. These calculated parameters correlate very well with the available Tolman and Lever parameters, and also with Hammett's sigma(m), where available. The method avoids any experimental limitations and, in particular, can be used for proposed ligands not yet experimentally available.
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Citations
Cites
Steric effects of phosphorus ligands in organometallic chemistry and homogeneous catalysis
Tolman, C. A. (1977) · Chemical Reviews · doi:10.1021/cr60307a002 · Cited by 4,824
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Statistical Modeling of a Ligand Knowledge Base
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Metadata
- Authors
- Perrin, L., Clot, E., Eisenstein, O., Loch, J., & Crabtree, R. H.
- Venue
- Inorganic Chemistry
- Publisher
- American Chemical Society (ACS)
- Published
- 2001-10-03
- Volume
- 40
- Issue
- 23
- Pages
- 5806-5811
- ISSN
- 0020-1669 (ISSN-L)
- 1520-510X
- OpenAlex
- W2037619595
- Cited by
- 249
- References
- 1
- FWCI
- 4.81
- Type
- journal article
- Language
- en
- Open access
- closed
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