Dihydrogen bonds proton-acceptor distance

Figure 8.3 Relationships between the energy of formation (kcal/mol) and the H- -FI distances (A) calculated for dihydrogen-bonded complexes of FIF and LiFI, NaH, MgH2, BeFl2, Mo(CO)2(NO)(PFl3)2H, CH4, and SiH4 as proton-acceptor sites circles, the MP4/6-311-H-G level open squares, the QCISD/6-311-H-G level solid squares, the QCISDT/6-311++G level. (Reproduced with permission from ref. 12.)...

Figure 8.10 Dependence of the Laplacian values, V pc (an), on the H- -H distances (A) calculated for dihydrogen-bonded complexes formed by the hydrides LIH, NaH, BeH2, and MgH2 with the proton donors HCN, HNC, and HCCH, including monomer-dimer and dimer-dimer combinations of proton donors and proton acceptors. (Reproduced with permission from ref. 17.)...

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