Pendant amine bases speed up proton transfers to metals by splitting the barriers.
نویسندگان
چکیده
By using density functional theory on [FeFe]-hydrogenase mimics we deconvolute the function of pendant amine bases in proton transfer to and from the metal center. By dividing the high free energy barrier into one high enthalpy-low entropy barrier and one with a low enthalpy-high entropy, a lower free energy barrier is reached.
منابع مشابه
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ورودعنوان ژورنال:
- Chemical communications
دوره 48 37 شماره
صفحات -
تاریخ انتشار 2012