“…The ligand exchange reactions which contribute to their formation, [ m , n ] + HCl → [ m + 1, n − 1] + H 2 O, are indeed calculated to be slightly exothermic, as summarized in Table . Such a ligand exchange reaction of [0,1] forming [1,0] was previously observed in a flow-tube reactor mass spectrometer 2 Energy (in kJ/mol), Including Zero-Point Corrected (ZPC) Energies, Thermal Enthalpies (Δ H ), and Thermal Free Energies (Δ G ) at Ambient Conditions, of Ligand Exchange a | | energy of ligand exchange (kJ/mol) Cl - (HCl) m (H 2 O) n + HCl → Cl - (HCl) m +1 (H 2 O) n - 1 + H 2 O |
Cl - (HCl) m (H 2 O) n | Δ E + Δ ZPC | Δ H 298K,1atm | Δ G 298K,1atm |
m | n | calcd | calcd | expt | calcd | expt |
0 | 1 | −49.5 | −50.5 | −23.0 | −43.7 | −19.1 |
1 | 1 | −16.1 | −16.6 | −19.5 | −16.1 | −12.4 |
2 | 1 | −14.8 | −15.1 | | −13.6 | |
3 | 1 | −11.3 | −11.6 | | −6.1 | |
0 | 2 | | −40.2 | −14.4 | −41.7 | −12.8 |
a The energies are calculated based on the binding energies listed in Table .…”