TY - GEN
T1 - Platinum catalyzed C-H activation
T2 - 237th National Meeting and Exposition of the American Chemical Society, ACS 2009
AU - Ahlquist, Mårten
AU - Goddard, William A.
PY - 2009/12/1
Y1 - 2009/12/1
N2 - The most successful catalytic system for selective direct conversion of methane to methanol to date is the one by Catalytica. It uses a platinum catalyst in concentrated sulfuric acid. Theoretical results provide insight into the multiple roles of the acid in the methane coordination, the product protection, and the oxidation of the platinum center. Further we present results from the development of a reactive force field ReaxFF for homogeneous platinum catalysts.
AB - The most successful catalytic system for selective direct conversion of methane to methanol to date is the one by Catalytica. It uses a platinum catalyst in concentrated sulfuric acid. Theoretical results provide insight into the multiple roles of the acid in the methane coordination, the product protection, and the oxidation of the platinum center. Further we present results from the development of a reactive force field ReaxFF for homogeneous platinum catalysts.
UR - https://www.scopus.com/pages/publications/78649493963
M3 - Conference contribution
AN - SCOPUS:78649493963
SN - 9780841224414
T3 - ACS National Meeting Book of Abstracts
BT - American Chemical Society - 237th National Meeting and Exposition, ACS 2009, Abstracts of Scientific Papers
Y2 - 22 March 2009 through 26 March 2009
ER -