Theoretical investigation of the interaction of glycerol with aluminum and magnesium phthalocyanines

Theoretical investigation of nitric oxide interaction with aluminum phthalocyanine

“…According to the calculated data shown in Table 6, the highest Fukui function (f 0 = 0.541) for nitric oxide is found in nitrogen and, in turn, this site governs a radical interaction. Silva et al [27] have calculated the reactivity descriptor for the complexes [AlPc] 0 and [AlPc] + , and their results showed that the Fukui function (f 0 ) for Al is 0.401 and 0.000, respectively. The highest value for Al of the complex [AlPc] 0 shows that the interaction of nitric oxide will occur preferentially with [AlPc] 0 , forming a bond.…”

“…These features make phthalocyanine the target of intense theoretical and experimental studies to develop new materials and drugs [7][8][9][10][11][12]. Among their applications, we can mention the use of phthalocyanine in the construction of chemical sensors [7,13,14], semiconductor materials [7,14,15], photoconductors [7,[16][17][18], electrochromic display [7,19,20], optical recording materials [21,22], catalytic properties for organic reactions [23][24][25][26][27] and potential applications in the treatment of many kinds of diseases like infections and visual and neural degenerative diseases [7,[28][29][30][31].…”