Comparative structural analysis of 4,5-and 3,6-dialkylsulfanylphthalonitriles of different bulkiness

Zorlu Y., Isci U., Un I., Kumru U., DUMOULIN F., Ahsen V.

STRUCTURAL CHEMISTRY, vol.24, no.4, pp.1027-1038, 2013 (SCI-Expanded) identifier identifier

  • Publication Type: Article / Article
  • Volume: 24 Issue: 4
  • Publication Date: 2013
  • Doi Number: 10.1007/s11224-012-0126-8
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED)
  • Page Numbers: pp.1027-1038
  • Keywords: Phthalonitrile, Adamantanethiol, Cyclohexanethiol, Hexanethiol, Alkylsulfanylphthalonitrile, Single crystal, IR, NMR, Comparative structural analysis, NON-PERIPHERAL POSITIONS, SUBSTITUTED PHTHALOCYANINES, EMERGING APPLICATIONS, ELECTRONIC-PROPERTIES, ZINC PHTHALOCYANINES, CHEMISTRY, ANALOGS, DYES
  • Acibadem Mehmet Ali Aydinlar University Affiliated: Yes


Phthalonitriles disubstituted by alkylsulfanyl moieties of different bulkiness (tert-butyl, adamantly, cyclohexyl and hexyl) and in 4,5- or 3,6-positions, respectively, set A and set B, have been prepared for comparative structural analyses. Miscellaneous parameters such as melting points and related polarity of the compounds are summarized. Substituents position and bulkiness effects on NMR and IR spectroscopy as well as refined X-ray structural data were examined.