Design, Synthesis, and Pharmacological Screening of Novel Porphyrin Derivatives

Table 2

Calculated HOMO, LUMO, and HOMO-LUMO gap energy and dipole moment of dyes 2a–f.

Dyes	HOMO (eV)	LUMO (eV)	HOMO-LUMO gap (eV)	Dipole moment (debye)
2a	−5.468	−2.7976	2.670	0.00
2b	−5.873	−3.0346	2.838	0.00
2c	−5.467	−2.8054	2.661	8.33
2d	−5.542	−2.8327	2.709	5.68
2e	−5.848	−3.0082	2.839	5.05
2f	−5.541	−2.8120	2.729	2.64