Skip to main content
. 2022 Oct 19;7(43):38752–38765. doi: 10.1021/acsomega.2c04368

Table 1. Energy Levels of LUMO Orbitals and Atomic Coefficient Values of Iminic Carbon from N-sulfonylhydrazone Prototypes (14) Calculated by the SPARTAN 14′ Program (Wavefunction Inc.).

compounds atomic coefficient LUMO (eV) molar refractivity
1 0.09 1.42 33.23
2 0.07 1.54 35.42
3 0.11 1.58 36.34
4 0.07 1.83 42.09