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, cilt.18, ss.1416-1426, 2016 (SCI İndekslerine Giren Dergi) identifier identifier

  • Cilt numarası: 18 Konu: 8
  • Basım Tarihi: 2016
  • Doi Numarası: 10.1039/c5ce02261d
  • Dergi Adı: CRYSTENGCOMM
  • Sayfa Sayıları: ss.1416-1426

Özet

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.