Dioxygen Activation at Mononuclear Nonheme Iron Active Sites: Enzymes, Models, and Intermediates
✍ Scribed by Miquel Costas; Mark P. Mehn; Michael P. Jensen; Lawrence Jr. Que
- Publisher
- John Wiley and Sons
- Year
- 2004
- Weight
- 53 KB
- Volume
- 35
- Category
- Article
- ISSN
- 0931-7597
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✦ Synopsis
Abstract
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📜 SIMILAR VOLUMES
The chemical behavior of two bis(3,5-dialkylpyrazol-1-yl)acetic acids and their coordination properties towards ZnCl 2 and FeCl 2 was studied. Reaction of bis(3,5-dimethylpyrazol-1-yl)acetic acid (bdmpza) (1) with ZnCl 2 and FeCl 2 gave the 2:1 complexes [(bdmpza) 2 Zn] (4) and [(bdmpza) 2 Fe] (5).
## Abstract Gas‐phase density functional theory calculations (B3LYP, double zeta plus polarization basis sets) are used to predict the solution‐phase infrared spectra for a series of CO‐ and CN‐containing iron complexes. It is shown that simple linear scaling of the computed CO and CN stretching