Minimum-energy structures of O , CO, and NO ironαporphyrin FeP 2 complexes, computed with the CarαParrinello molecular dynamics, agree well with the available experimental data for synthetic heme models. The diatomic molecule induces a ΛΕ½ . 0.3α0.4 A displacement of the Fe atom out of the porphyrin
Binding of O 2 and CO to Metal Porphyrin Anions in the Gas Phase
β Scribed by Karpuschkin, Tatjana; Kappes, Manfred M.; Hampe, Oliver
- Book ID
- 120559876
- Publisher
- John Wiley and Sons
- Year
- 2013
- Tongue
- English
- Weight
- 699 KB
- Volume
- 52
- Category
- Article
- ISSN
- 0044-8249
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π SIMILAR VOLUMES
The allenyl anionreacts readily in the gas phase with CS2and COS to form the thioketenylanion. The reactinninvolvesa cnmplexseriesof cyclizationand riryg-opening reactionsin whichthe centralcarbonofallene mri the carbonof the neutralreagentbecomeequivalent. Despitethe complexity,the reactionwith CSZ
## Abstract The reactions of metal carbonyl anions (M(CO)~__n__~^β^; M = Cr, Mn and Fe; __n__ = 1β3) with __n__βheptane, water and methanol were studied with use of a Fourier transform ion cyclotron resonance (FTβICR) mass spectrometer equipped with an external ion source. The M(CO)~__n__~^β^ ions