Prediction of the reactive intermediates in alkane activation by tris(pyrazolyl borate)rhodium carbonyl

abstract

• Two intermediates are observed in the time-resolved IR spectra of the photoinitiated alkane (RH) activation reaction of Tp*Rh(CO)2 (Tp* = HB-(3,5-dimethylpyrazolyl). Density functional suggest that the first observed intermediate is (3-Tp*)Rh(CO)(RH) (RH weakly bound), which subsequently rearranges to (2-Tp*)Rh(CO)(RH) (RH strongly bound) before undergoing oxidative addition to the product (3-Tp*)-Rh(CO)(R)(H).

authors

• Hall, Michael

published proceedings

• JOURNAL OF PHYSICAL CHEMISTRY A

author list (cited authors)

• Zaric, S., & Hall, M. B.

citation count

• 48

complete list of authors

• Zaric, S||Hall, MB

publication date

• March 1998

publisher

• American Chemical Society (ACS)  Publisher

published in

• Journal of Physical Chemistry A  Journal

keywords

• 34 Chemical Sciences
• 3402 Inorganic Chemistry

Digital Object Identifier (DOI)

• 10.1021/jp971713f

start page

• 1963

end page

• 1964

volume

• 102

issue

• 11

URL

• https://doi.org/10.1021/jp971713f