4331-98-0Relevant articles and documents
The high resolution infrared spectroscopy of cyanogen di-N-oxide (ONCCNO)
Guo, Bujin,Pasinszki, Tibor,Westwood, Nicholas P. C.,Bernath, Peter F.
, p. 3335 - 3340 (1995)
The high-resolution infrared absorption spectrum of the oxalodinitrile di-N-oxide (ONCCNO) molecule has been recorded in the gas phase with a Fourier transform spectrometer at a resolution of 0.003 cm-1.No previous high-resolution spectra have been recorded for this semistable palindromic molecule.On the basis of the 2:1 intensity alternation in the rotational lines caused by nitrogen nuclear spin ststistics, the ONCCNO molecule appears to be linear.A quasilinear structure, however, cannot be ruled out at this stage of the analysis.The ν4 and ν5 fundamental modes at 2246.040 55(23) cm-1 and 1258.475 30(11) cm-1 have been analyzed to give ground state rotational constants of B0=0.042 202 10(96) cm-1 and D0=8.77(70)*10-10 cm-1.By fixing the CN and NO bond lengths to 1.1923 and 1.1730 Angstroem, respectively, the C-C bond length was determined to be 1.3329 Angstroem using the B0 value.This short C-C bond length is thus similar to that observed for a carbon-carbon double bond.
Synthesis of a carbazole substituted unusual cobalt(ii)dioxime complex to design conducting polymers with caged metal centers for enhanced optical and electrical properties
Soganci, Tugba,Baygu, Yasemin,Kabay, Nilgün,Dumlu, G?khan,G?k, Ya?ar,Ak, Metin
, p. 18616 - 18624 (2020)
Conjugated hybrid structures (conductive metallopolymers) designed by incorporating transition metals into conductive polymers can increase the properties of both materials and eliminate the disadvantages of materials for final applications to achieve the desired optical and electrical properties. Here, S,S′-substituted vicinal dithioglyoxime and its mononuclear cobalt(ii) complex have been synthesized and this pseudo macrocyclic Co(ii) complex has been converted to a full macrocycle by the replacement of the hydrogen atoms with BF2+ moieties which act as strong electron-withdrawing units to enhance the stability of the transition metal and to increase the solubility of the macrocycle in common organic solvents. After electrochemical polymerization, polycarbazole based cross-linked conductive metallopolymers with caged metal centers have been achieved. As a consequence of the optical and electrochemical characterization of the unique structure, the highest optical contrast value was obtained among the polycarbazole derivatives in the literature. Electrochemical polymerization and electrochemical properties of the conducting metallopolymer have also been investigated with EQCM studies.
Gas-Phase Generation of the Unstable BrCNO molecule and Its Stable Dibromofuroxan Dimer. HeI Photoelectron, Photoionization Mass Spectroscopy, Mid-Infrared, and ab Initio Studies
Pasinszki, Tibor,Westwood, Nicholas P.C.
, p. 6401 - 6409 (2007/10/02)
The haloformonitrile oxide BrCNO has been generated for the first time in the gas phase from the dibromoformaldoxime precursor by pyrolysis or by chemical reaction with HgO(s) or NH3(g).Trapping this gaseous species leads to the ring dimer dibromofuroxan.The BrCNO and (BrCNO)2 species are characterized in the gas phase by HeI photoelectron spectroscopy, HeI and HLα photoionization mass spectroscopy, and infrared spectroscopy.The geometry of BrCNO obtained from ab initio calculations at the HF, MPn (n=2-4), QCISD(T) levels of theory suggests a quasi-linear structure with a pronounced effect of triple substitutions on the linear -bent question.The dibromofuroxan species also investigated for the first time by gas-phase methods, is confirmed by ab initio calculations at the HF level as a planar five-membered ring with a strongly polarized exocyclic nitrile oxide group.This dimer, under thermolysis, does not revert to the BrCNO monomer, but leads to the formation of the unique fulminate, cyanogen bis-N-oxide, ONCCNO.The ab initio calculations lend strong support to the vibrational spectra, but are limited by the application of Koopmans' theorem for the experimental ionization potentials.
