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The reaction intermediates of the proposed C-H bond activation mechanism of Tp*Rh(CO2)(Tp* = HB-Pz3*, Pz* = 3,5-dimethylpyrazolyl) in alkanes. The first energy minimum (back) shows the metal-alkane complex poised for bond cleavage (note blue arrow). Carbon, hydrogen, and rhodium are green, blue, and yellow, respectively. The second minimum shows the activated alkane after dechelation of the pyrazolyl ligand (monochrome atoms). The product (not shown) is stabilized by rechelation of the ligand. See page 260. [Graphics: Haw Yang]

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Science. ISSN 0036-8075 (print), 1095-9203 (online)