Hi
I have a halogen interacted Heme for different charge of Fe.
I find the intensity of the soret peak is no way uniform and it varies for every complexes. So i have few questions based on it.
1.Does the absorbance value depends of any factors?
2.Being Halogens, is there any necessity for the absorption wavelength to be in particular order?
3.Does the increasing or decreasing order of absorption peak should be in order?
4. Should the order be same for any charge of metal ion?
PS: Computational research.
Any advice at the earliest will be really helpful.
Dera Rahul,
please read the various questions in R.G like the questions and answers posted 7 years ago :
7 years ago on R.G. Bas de Bruin University of Amsterdam
As written above, the formal oxidation state of the metal (iron(II) in this case) is not the same as the actual charge on the metal. Formal oxidation state counting is a concept based on a purely ionic bonding model. Formal charge counting in Lewis structures is a concept based on a purely covalent bonding model. The real charges are generally somewhere in-between. Electron and charge delocalisation minimizes the atomic charges (Pauling’ s electroneutrality principle). Furthermore, the results obtained with DFT can depend on the basis set, functional and the method used to calculate the charge (Mulliken, NPA, ESP etc.). Despite that, you will never get a 2+ charge on iron.
You mean certainly bearing halogens and please note that you must have pure heme for UV-Vis measurements . It is obsolete to work with impure heme.
What a kind of spectrometer are you using and what a kind of cuvettes?
Please insert a picture of your spectra with Soret peaks in your question.
Please insert:
Heme for different charge of Fe
in Google and read the hits.
JRG
Hi Dr Jean
High valent +2 charge for Fe in porphyrin structures are reported in few places.
Yeah I have UV spectra for pure Heme. I have calculated using Gaussian package.
From Lambert Beers law we know that O.D varies linearly with Molar Absorptivity .
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