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Syntheses, density functional and sparkle PM6 semi empirical theoretical studies of O,O′-dialkyl/alkylenedithiophosphate derivatives of tin(IV) phthalocyanine adducts

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Al-Azhar University – Gaza
Elkhaldy A.A.S.; Mkadmh A.M.; Staples R.J.; Boni Y.; Abu-Shanab A.; Safi Z.S.; Wazzan N.A.
Elkhaldy, A.A.S. (6602668614); Mkadmh, Ahmed M. (8352161200); Staples, Richard J. (7004287886); Boni, Yannic (59996870300); Abu-Shanab, Alaa (55416413300); Safi, Zaki S. (16199979600); Wazzan, Nuha A. (36155094500)
6602668614; 8352161200; 7004287886; 59996870300; 55416413300; 16199979600; 36155094500
2018
Journal of Molecular Structure
Syntheses, density functional and sparkle PM6 semi empirical theoretical studies of O,O′-dialkyl/alkylenedithiophosphate derivatives of tin(IV) phthalocyanine adducts
1167
294
304
Elsevier B.V.
Physics, Chemistry and Mathematics Department, Alabama A&M University, Normal, 35762, AL, United States; Chemistry Department, Faculty of Applied Science, Alaqsa University, Gaza, Palestine; Department of Chemistry, Center for Crystallography 578 S. Shaw Lane, Michigan State University, East Lansing, 48824, MI, United States; Chemistry Department, Faculty of Science, Al Azhar University-Gaza, Gaza City, 1277, Palestine; King Abdulaziz University, Chemistry Department, Faculty of Science, P.O Box 42805, Jeddah, 21589, Saudi Arabia
Elkhaldy A.A.S., Physics, Chemistry and Mathematics Department, Alabama A&M University, Normal, 35762, AL, United States; Mkadmh A.M., Chemistry Department, Faculty of Applied Science, Alaqsa University, Gaza, Palestine; Staples R.J., Department of Chemistry, Center for Crystallography 578 S. Shaw Lane, Michigan State University, East Lansing, 48824, MI, United States; Boni Y., Physics, Chemistry and Mathematics Department, Alabama A&M University, Normal, 35762, AL, United States; Abu-Shanab A., Chemistry Department, Faculty of Applied Science, Alaqsa University, Gaza, Palestine; Safi Z.S., Chemistry Department, Faculty of Science, Al Azhar University-Gaza, Gaza City, 1277, Palestine; Wazzan N.A., King Abdulaziz University, Chemistry Department, Faculty of Science, P.O Box 42805, Jeddah, 21589, Saudi Arabia
A.M. Mkadmh; Chemistry Department, Faculty of Applied Science, Alaqsa University, Gaza, Palestine; email: am.almagadma@alaqsa.edu.ps
3
10.1016/j.molstruc.2018.04.039
Aromaticity; B3LYP; Fucui functions; Phthalocyanine; Tin
Density functional theory; Electronic properties; Geometry; Potential energy; Quantum chemistry; Synthesis (chemical); Tin; Wave functions; Alkylene-dithiophosphate; Aromaticities; B3LYP; Condensed Fukui functions; Electronic susceptibility; Frequency calculations; Molecular weight determination; Phthalocyanine; Tin compounds