Fig. 1 | Nature Communications

Fig. 1

From: The elusive abnormal CO2 insertion enabled by metal-ligand cooperative photochemical selectivity inversion

Fig. 1

Experimental conditions for normal vs. abnormal CO2 insertion. Reactivity of 1 with CO2 under thermal and photochemical conditions, respectively, with computed (D3(BJ)-RI-J-PBE/def2-SVP//D3(BJ)-TPSS/def2-TZVP(Cosmo:THF)) free reaction enthalpies (ΔrG0(298 K), blue) and effective reaction barriers (ΔGeff(298 K) red) for the respective thermal insertions

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