H2 evolution from Co(III) catalyst in
acetonitrile
Generation of fuels from solar energy is fundamental for an economy
based on renewable and environmentally friendly energy production. In a
collaboration funded by the Department of Energy, we are working with Profs. Claudio Verani and John Endicott at WSU
on solar-based water splitting. Verani’s group
is focused on synthesizing new photocatalysis;
Endicott’s group studies the photophysics of these
and related systems; our group carries out electronic structure calculations to
help characterize ground and excited state properties, and to explore catalytic
cycles. Another part of our
collaboration with Verani is related molecular
rectifiers. We also have a long standing collaborate with Prof. Charles Winter
on atomic layer deposition precursors.
a.
Thomas,
R. A.; Tsai, C. N.; Mazumder, S.; Lu, I. C.; Lord, R.
L.; Schlegel, H. B.; Chen, Y. J.; Endicott, J. F.; Energy dependence of the
ruthenium(II)-bipyridine
metal-to-ligand-charge-transfer excited state radiative lifetimes: Effects of pp*(bipyridine)
mixing. J. Phys. Chem. B 2015, 119, 7393-7406 (10.1021/jp510949x).
b.
Basu, D.; Mazumder,
S.; Shi, X.; Baydoun, H.; Niklas,
J.; Poluektov, O.; Schlegel, H. B.; Verani, C. N.; Ligand Transformations and Efficient
Proton/Water Reduction with Cobalt Catalysts Based on Pentadentate
Pyridine-Rich Environments. Angew. Chem., Int. Ed. 2015, 54, 2105-10 (10.1002/anie.201409813).
c.
Basu, D.; Mazumder,
S.; Shi, X.; Staples, R. J.; Schlegel, H. B.; Verani,
C. N.; Distinct Proton and Water Reduction Behavior with a Cobalt(III) Electrocatalyst Based on Pentadentate
Oximes, Angew.
Chem., Int. Ed. 2015, 54, 7139-43 (10.1002/anie.201501410).
d.
Psciuk, B. T.; Lord, R. L.; Winter, C. H.; Schlegel, H. B.; Can Metallapyrimidines
Be Aromatic? A Computational Study into a New Class of Metallacycles.
J. Chem. Theory Comput.
2012, 8, 4950−4959 (10.1021/ct3006979).