REACTIVITY PATTERNS OF METAL OXO ENZYMES AND REAGENTS

Sason Shaik
Department of Chemistry, The Hebrew University of Jerusalem, Jerusalem

There are a few stories that concern bioinorganic chemistry, and one of these will be chosen for the talk close to the beginning of the conference:

(a) The first story focuses on the reactivity of Cytochrome P450, its catalytic cycle, deactivation, etc.1

(b) The second story describes the application of valence bond (VB) theory to bioinorganic chemistry.2

(c) The third story concerns the oxy complexes of Myoglobin and Hemoglobin.3 It will be argued that VB theory and VB reading of complex multi reference wave functions is a productive future paradigm in the field.

(d) The fourth story deals with exchange-enhanced reactivity (EER),4 which is the Hund’s rule analogue in chemical reactivity. The utility of the concept will be outlined.

 

[1] Shaik, S., Cohen, S., Wang, Y., Chen, H., Kumar, D., Thiel, W. Chem. Rev. 110 (2010) 949-1017.  

[2]  Shaik, S., Lai, W.Z., Chen, H., Wang, Y. Acc. Chem. Res. 43 (2010) 1154-1165.

[3] Chen, H., Ikeda-Saito, M., Shaik, S. J. Am. Chem. Soc., 130 (2008) 14778-14790.

[4] Shaik, S., Chen, H., Janardanan, D., Nature Chem. 3 (2011). 19-27. (b) Chen, H., Lai, W.Z., Shaik, S., J. Phys. Chem. Lett. 1 (2010), 1533-1540









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