TY - JOUR
T1 - New insights into highly efficient reduction of CO2 to formic acid by using zinc under mild hydrothermal conditions
T2 - A joint experimental and theoretical study
AU - Zeng, Xu
AU - Hatakeyama, Makoto
AU - Ogata, Koji
AU - Liu, Jianke
AU - Wang, Yuanqing
AU - Gao, Qi
AU - Fujii, Katsushi
AU - Fujihira, Masamichi
AU - Jin, Fangming
AU - Nakamura, Shinichiro
PY - 2014/8/27
Y1 - 2014/8/27
N2 - We report here a theoretical study with quantum chemical calculations based on experimental results to understand highly efficient reduction of CO2 to formic acid by using zinc under hydrothermal conditions. Results showed that zinc hydride (Zn-H) is a key intermediate species in the reduction of CO2 to formic acid, which demonstrates that the formation of formic acid is through an SN2-like mechanism.
AB - We report here a theoretical study with quantum chemical calculations based on experimental results to understand highly efficient reduction of CO2 to formic acid by using zinc under hydrothermal conditions. Results showed that zinc hydride (Zn-H) is a key intermediate species in the reduction of CO2 to formic acid, which demonstrates that the formation of formic acid is through an SN2-like mechanism.
UR - http://www.scopus.com/inward/record.url?scp=84907060997&partnerID=8YFLogxK
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U2 - 10.1039/c4cp03388d
DO - 10.1039/c4cp03388d
M3 - Article
AN - SCOPUS:84907060997
SN - 1463-9076
VL - 16
SP - 19836
EP - 19840
JO - Physical Chemistry Chemical Physics
JF - Physical Chemistry Chemical Physics
IS - 37
ER -