DFT Calculation on 76 Polychlorophenazines: Their Thermodynamic Function and Implication of Cl Substituted Position

Table 4

Most stable and unstable isomers in different isomer groups for PCPZs.

Compounds	The most stable isomer	The most unstable isomer
MCPT	2-	1-
DCPT	2,8-; 2,7-	1,2-
Tri-CPT	1,3,8-; 1,3,7-	1,2,3-
TCPT	1,3,6,8-	1,2,3,4-
Penta-CPT	1,2,4,7,9-	1,2,3,4,6-
Hexa-CPT	1,2,3,6,7,9-	1,2,3,4,6,7-
Hepta-CPT	1,2,3,4,6,7,9-	1,2,3,4,6,7,8-