Recently I am researching about HIGHLY EFFICIENT; METAL-COMPLEXES; QUINOXALINE LIGANDS; 1ST EXAMPLES; PHOSPHORESCENT; EMISSION; BEARING; PHOTOPHYSICS; CONVERSION; DEVICES, Saw an article supported by the Cardiff University (Knowledge Economy Skills Scholarship); STG Aerospace; Engineering and Physical Sciences Research Council (EPSRC)UK Research & Innovation (UKRI)Engineering & Physical Sciences Research Council (EPSRC) [EP/L504749/1]. Published in AMER CHEMICAL SOC in WASHINGTON ,Authors: Stonelake, TM; Phillips, KA; Otaif, HY; Edwardson, ZC; Horton, PN; Coles, SJ; Beames, JM; Pope, SJA. The CAS is 98-97-5. Through research, I have a further understanding and discovery of Pyrazine-2-carboxylic acid. Computed Properties of C5H4N2O2
A series of heteroleptic, neutral iridium(III) complexes of the form [Ir(L)(2)(N boolean AND O)] (where L = cyclometalated 2,3-disubstituted quinoxaline and N boolean AND O = ancillary picolinate or pyrazinoate) are described in terms of their synthesis and spectroscopic properties, with supporting computational analyses providing additional insight into the electronic. properties. The 10 [Ir(L)(2)(N boolean AND O)] complexes were characterized using a range of analytical techniques (including H-1, C-13, and F-19 NMR and IR spectroscopies and mass spectrometry). One of the examples was structurally characterized using X-ray diffraction. The redox properties were determined using cyclic voltammetry, and the electronic properties were investigated using UV-vis, time-resolved luminescence, and transient absorption spectroscopies. The complexes are phosphorescent in the red region of the visible spectrum (lambda(em) = 633-680 nm), with lifetimes typically of hundreds of nanoseconds and quantum yields ca. 5% in aerated chloroform. A combination of spectroscopic and computational analyses suggests that the long-wavelength absorption and emission properties of these complexes are strongly characterized by a combination of spin-forbidden metal-to-ligand charge-transfer and quinoxaline-centered transitions. The emission wavelength in these complexes can thus be controlled in two ways: first, substitution of the cyclometalating quinoxaline ligand can perturb both the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital levels (LUMO, Cl atoms on the ligand induce the largest bathochromic shift), and second, the choice of the ancillary ligand can influence the HOMO energy (pyrazinoate stabilizes the HOMO, inducing hypsochromic shifts).
About Pyrazine-2-carboxylic acid, If you have any questions, you can contact Stonelake, TM; Phillips, KA; Otaif, HY; Edwardson, ZC; Horton, PN; Coles, SJ; Beames, JM; Pope, SJA or concate me.. Computed Properties of C5H4N2O2
Reference:
Patent; Chevron Research Company; US4732894; (1988); A;,
Pyrazine – Wikipedia,
Pyrazine | C4H4N2 – PubChem