Research Article

Polymethine Dye as Sensors of NH3 and CO

Table 3

The binding energy of the NH3 and CO molecules in the associate with the PMD molecule (position 2).

PMD moleculeBinding energy of the NH3, eVBinding energy of the CO, eV

PMD-I0.330.14
PMD-II0.320.13
PMD-III0.340.14
PMD-IV0.350.14
PMD-V0.230.09
PMD-VI0.230.11
PMD-VII0.230.11
PMD-VIII0.240.11