Fe-N Bond Energy in Heme Group of Haemoglobin

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SUMMARY

The bond energy of the Fe-N coordinate-covalent bond in the heme group of hemoglobin is not explicitly stated in the discussion, but optimized Fe-N bond distances are provided: 1.61 Å for the doublet state and 1.74 Å for the quartet state. The average Fe-N bond distances in various forms of hemoglobin and cytochrome c are reported as 1.99 Å in oxyhemoglobin, 1.98 Å in carbonmonoxyhemoglobin, and 1.98 Å in cytochrome c at pH less than 10.5, with an experimental accuracy of +/-0.02 Å. Relevant resources include studies from SLAC and PubMed that detail structural relationships and spectroscopic data.

PREREQUISITES
  • Understanding of coordinate-covalent bonding in coordination chemistry
  • Familiarity with heme group structure and function in hemoglobin
  • Knowledge of bond length measurements and their significance
  • Basic principles of x-ray absorption spectroscopy
NEXT STEPS
  • Research the bond energy calculations for Fe-N bonds in coordination complexes
  • Explore the implications of bond length variations in hemoglobin function
  • Study x-ray absorption spectroscopy techniques and their applications in structural biology
  • Investigate the differences in bond lengths across various ligated forms of hemoglobin
USEFUL FOR

This discussion is beneficial for biochemists, structural biologists, and researchers studying hemoglobin's molecular structure and its interactions, particularly those interested in coordination chemistry and spectroscopic analysis.

fomenkoa
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I've been searching far and wide and simply cannot find any info on the BOND ENERGY of a Fe- N coordinate-covalent bond, like that found in the heme group of haemoglobin.


it looks like this:
... N
... |
N -- Fe2+ -- N
... |
... N

The Fe2+ ion also has 2 coordination sites perpendicular to that plane.

Where can I possibly find the bond energy/length of those coordinate covalent bonds?

Anton
 
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In addition, the calculations show a rather large difference in the short Fe-N bond distance, giving optimized Fe-N bond distances of 1.61 Å and 1.74 Å for the doublet and quartet states, respectively.
from http://www-ssrl.slac.stanford.edu/research/highlights_archive/fev.html

Abstract - Structure-function relations in hemoglobin as determined by x-ray absorption spectroscopy.
http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?cmd=Retrieve&db=PubMed&list_uids=1061148&dopt=Abstract
The ligated forms of hemoglobin, and cytochrome c at high pH, gave spectra which were very similar to the bis-imidazole complex, where the average Fe-N bond distance is known to be 1.98 A. By comparison it was possible to determine that the average Fe-N bond distances were 1.99 A in oxyhemoglobin, 1.98 A in carbonmonoxyhemoglobin, and 1.98 A in cytochrome c at pH less than 10.5, with an experimental accuracy of +/-0.02 A.

Don't know if this is of use -
http://www.udel.edu/chem/bahnson/Chem641/chime/HemeFe_2.htm
 
Wow thanks you are a research genius!

Anton
 

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