Jaung, Jae-Yun; Matsuoka, Masaru; Fukunishi, Koushi published the article 《Dicyanopyrazine studies. part IV: syntheses and solid state absorption spectra of new dicyanopyrazine dyes derived from dichlorodicyanopyrazine and Fischer’s type bases》. Keywords: dye dicyanopyrazine preparation spectra MO.They researched the compound: 5,6-Dichloropyrazine-2,3-dicarbonitrile( cas:56413-95-7 ).Computed Properties of C6Cl2N4. Aromatic heterocyclic compounds can be divided into two categories: single heterocyclic and fused heterocyclic. In addition, there is a lot of other information about this compound (cas:56413-95-7) here.
2-Chloro-5,6-dicyano-3-[2-(1,3,3-trimethylindolinylidene)methyl]pyrazine showed large differences in λmax from solution to the solid state resulting from strong intermol. π-π interactions. Related derivatives were synthesized by the nucleophilic substitution of 2,3-dichloro-5,6-dicyanopyrazine with various Fischer’s base type enamines. Absorption spectra, fluorescent properties and other phys. properties were correlated with their chem. structures. The PPP MO and MOPAC approach to evaluate their absorption spectra correlate with their conformations were conducted. Good correlation between the calculated and the exptl. results were obtained. The substituent effects of dicyanopyrazines affecting their chem., electronic, and phys. properties were also studied.
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Reference:
Synthesis and Crystal Structure of a Chiral C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur–nitrogen–oxygen ligand derived from aminothiourea and sodium D-camphor-β-sulfonate