Since phthalonitrile compounds have become popular lately, the focus has been on idea that these should be investigated. A unique compound, 4-(4-(1-(4-hydroxyphenyl)-1-phenylethyl)phenoxy)phthalonitrile (coded as PN) was selected and molecular modeling studies were carried out this compound to brought literature. First, time-dependent density functional theory (TD-DFT) calculations (Geometry op...

The title compound, C(8)H(5)N(5), was synthesized from phthalonitrile. The benzonitrile and tetra-zole rings are inclined at a dihedral angle of 37.14 (11)°. In the crystal structure, inter-molecular N-H⋯N hydrogen bonds link the tetra-zole rings of adjacent mol-ecules, forming chains along the a axis.

Multireference quantum chemical calculations were performed in order to investigate the (reverse) intersystem crossing ((R)ISC) mechanisms of 4,5-di(9H-carbazol-9-yl)-phthalonitrile (2CzPN).

phthalocyanine complexes of cu, co, ni, fe, zn, pd, pt and ru have been synthesized from reaction between phthalonitrile and proper metal salts upon exposure to microwave irradiation under solvent-free conditions and considerably reduced reaction times.

In the title compound, C(13)H(8)N(2)O(2), prepared from furfuryl alcohol and 4-nitro-phthalonitrile in the presence of potassium carbonate in dimethyl-formamide, the furan and benzene rings are oriented at a dihedral angle of 53.45 (9)°. In the crystal, weak C-H⋯O and C-H⋯N hydrogen bonds link the mol-ecules into a three-dimensional network.

Phthalocyanine complexes of Cu, Co, Ni, Fe, Zn, Pd, Pt and Ru have been synthesized from reaction between phthalonitrile and proper metal salts upon exposure to microwave irradiation under solvent-free conditions and considerably reduced reaction times.

Phthalonitrile compounds with Si bridges were recently suggested for producing thermosetting polymer composites with reduced Tg and thus expanded processing range. The detailed experimental investigation of this class of phthalonitriles is still difficult due to development time and costs limitations and the need to take into account the structural changes during the crosslinking. In this paper...