. 2021 May 6;40(10):1492–1502. doi: 10.1021/acs.organomet.1c00143

Table 1. Experimental and Theoretical Binding Energies of [M(PPh₃)]⁺ with Unsaturated Hydrocarbons in the [M(PPh₃)(Hydrocarbon)]⁺ π-Complexes in the Gas Phase (M = Ag/Au)⁶³.

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Calculations were performed at the mPW1PW91/cc-pVTZ/LanL2DZ level of theory and include ZPE and BSSE corrections.

Table 1. Experimental and Theoretical Binding Energies of [M(PPh3)]+ with Unsaturated Hydrocarbons in the [M(PPh3)(Hydrocarbon)]+ π-Complexes in the Gas Phase (M = Ag/Au)63.