NMR spectroscopic investigation of benzothiazolylacetonitrile azo dyes: CR7 substitution effect and semiempirical study

Alsoghier, H. M.South Valley Univ, Fac Sci, Chem Dept, Qena 83523, Egypt.;Univ Lisbon, Ctr Quim Estrutural, Inst Super Tecn, Av Rovisco Pais 1, P-1049001 Lisbon, Portugal. (författare)

NMR spectroscopic investigation of benzothiazolylacetonitrile azo dyes : CR7 substitution effect and semiempirical study

Ebead et al. had reported in the synthesis and the UV-Visible solvatochromism combined with semiempirical calculations to study the tautomerism of 1,3-benzothiazol-2-ylacetonitrile azo dyes [1]. In this study, 1,3-ben zothiazol-2-ylacetonitrile azo dyes (1-6) have been resynthesized, one and two dimensional H-1 and C-13 NMR, as well as absorption and emission spectra, were collected and interpreted. The obtained results were used to clarify the tautomerization phenomenon of these dyes. Predominantly, these dyes exist in Z-hydrazone form reinforced through intramolecular hydrogen bonding in deuterated chloroform. Substituents (R) in carbon7 (CR7) are the key player of the changes in H-1 and C-13 NMR chemical shifts, also in the absorption and emission wavelengths of benzothiazole azo dyes. Also, the relative photoluminescence quantum yields (PL QY) of these dyes (1-6) were estimated and related to the nature of substituents. Finally, PM6 semiempirical calculations were employed to confirm the preferred geometric structure and experimental NMR, absorption, and emission results.

Abdellah, M.Uppsala universitet,Institutionen för kemi - Ångström,South Valley Univ, Fac Sci, Chem Dept, Qena 83523, Egypt. (författare)
Rageh, H. M.South Valley Univ, Fac Sci, Chem Dept, Qena 83523, Egypt. (författare)
Salman, H. M. A.South Valley Univ, Fac Sci, Chem Dept, Qena 83523, Egypt. (författare)
Selim, M. A.South Valley Univ, Fac Sci, Chem Dept, Qena 83523, Egypt. (författare)
Santos, M. A.Univ Lisbon, Ctr Quim Estrutural, Inst Super Tecn, Av Rovisco Pais 1, P-1049001 Lisbon, Portugal. (författare)
Ibrahim, S. A.Assiut Univ, Fac Sci, Chem Dept, Assiut 71516, Egypt. (författare)
South Valley Univ, Fac Sci, Chem Dept, Qena 83523, Egypt.;Univ Lisbon, Ctr Quim Estrutural, Inst Super Tecn, Av Rovisco Pais 1, P-1049001 Lisbon, Portugal.Institutionen för kemi - Ångström (creator_code:org_t)

Av författaren/redakt...: Alsoghier, H. M.; Abdellah, M.; Rageh, H. M.; Salman, H. M. A.; Selim, M. A.; Santos, M. A.; visa fler...; Ibrahim, S. A.; visa färre...

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