. 2024 May 7;63(20):9221–9236. doi: 10.1021/acs.inorgchem.4c00794

Table 4. NBOs and Second Order Stabilization Energies for the Donor–Acceptor Interactions of Compounds 1–3^a.

compound	donor	acceptor	E⁽²⁾
1	LP(S)	LV(S)	9.38
	LP(Ag)	LV(Ag)	11.48
2	LP(S)	LV(S)	8.41
	LP(Ag)	LV(Ag)	13.09
3	LP(S)	LV(S)	7.02
	LP(Ag)	LV(Ag)	8.85

Energies in kcal/mol.

Table 4. NBOs and Second Order Stabilization Energies for the Donor–Acceptor Interactions of Compounds 1–3a.