A library of dimeric and trimeric phthalonitriles linked by a single aromatic ring: comparative structural and DFT investigations

Koc M., Zorlu Y., Isci U., Berber S., Ahsen V., DUMOULIN F.

CRYSTENGCOMM, vol.18, no.8, pp.1416-1426, 2016 (Journal Indexed in SCI) identifier identifier

  • Publication Type: Article / Article
  • Volume: 18 Issue: 8
  • Publication Date: 2016
  • Doi Number: 10.1039/c5ce02261d
  • Title of Journal : CRYSTENGCOMM
  • Page Numbers: pp.1416-1426


A library of five phthalonitriles, dimeric or trimeric, all connected by an aromatic spacer (catechol, resorcinol, hydroquinone, phloroglucinol and catechol with two tert-butyl moieties), was selected to be comparatively studied from a structural point of view. Hirshfeld surface analysis and DFT calculations were performed as well.