Day: December 6, 2022

Chen, Jing-Lin published the artcileHeterobimetallic copper(I) complexes bearing both 1,1′-bis(diphenylphosphino)ferrocene and functionalized 3-(2′-pyridyl)-1,2,4-triazole, Recommanded Product: 2-[5-(Trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine, the publication is New Journal of Chemistry (2019), 43(10), 4261-4271, database is CAplus.

Cationic and neutral heterobimetallic Cu(I) complexes bearing both 1,1′-bis(diphenylphosphino)ferrocene and functional 3-(2′-pyridyl)-1,2,4-triazole were synthesized. They all show a highly distorted tetrahedral P₂N₂ geometry around Cu(I), in which functional 3-(2′-pyridyl)-1,2,4-triazole adopts either mono-anionic η²(N1,N2) or neutral η²(N1,N2) or η²(N1,N4) bonding mode, depending on the substituent and NH ⇄ N^– conversion of 1,2,4-triazole. All these Cu(I) complexes are air-stable in both solution and solid states, and isomerization is only observed in solution for the cationic complex with a bulky tert-Bu group, as evidenced by ¹H and ³¹P NMR studies. All these 1,2,4-triazole-based complexes show a relatively weak and broadened low-energy absorption band, attributed to the charge-transfer transitions, as suggested by time-dependent d. functional theory (TDDFT) calculations, which is more influenced by the NH ⇄ N^– conversion of 1,2,4-triazole relative to the variation of their substituents. Since the charge-transfer excited state is quenched by a photoinduced intramol. energy transfer from the {Cu(NÑ)(PP)} moiety to the ferrocene, as supported by the lowered oxidation potential of the ferrocene in comparison to the Cu(I) center, these dppf-based Cu(I) complexes all show no detectable emission in solution and solid states at room temperature and at 77 K.

New Journal of Chemistry published new progress about 219508-27-7. 219508-27-7 belongs to triazoles, auxiliary class Trifluoromethylated Building Blocks, name is 2-[5-(Trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine, and the molecular formula is C8H5F3N4, Recommanded Product: 2-[5-(Trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine.

Referemce:
https://en.wikipedia.org/wiki/1,2,3-Triazole,
Triazoles – an overview | ScienceDirect Topics

Keshavarz, Mohammad Hossein published the artcileA simple approach for predicting impact sensitivity of polynitroheteroarenes, Application of 4-Nitro-2H-1,2,3-triazole, the publication is Journal of Hazardous Materials (2009), 166(2-3), 1115-1119, database is CAplus and MEDLINE.

A method is introduced to predict impact sensitivity of different types of polynitroheteroarenes which can include nitropyridine, nitroimidazole, nitropyrazole, nitrofurazane, nitrooxadiazole, nitro-1,2,4-triazole, nitro-1,2,3-trazole and nitropyrimidine explosives. The model is based on the number of carbons and hydrogens as well as specific structural parameters that can increase or decrease impact sensitivity. This method was applied to 67 polynitroheteroarenes which have different structural parameters. The predicted results are compared with outputs of recent calculated results of complex neural network. The root mean squares (rms) of deviations of different polynitroheteroarenes are 36 and 66 cm for the new and neural network methods, resp. This model also predicts good results for some miscellaneous nitroheterocyclic explosives and several new synthesized polynitroheteroarenes compared to exptl. data.

Journal of Hazardous Materials published new progress about 84406-63-3. 84406-63-3 belongs to triazoles, auxiliary class Triazole,Nitro Compound, name is 4-Nitro-2H-1,2,3-triazole, and the molecular formula is C2H2N4O2, Application of 4-Nitro-2H-1,2,3-triazole.

Referemce:
https://en.wikipedia.org/wiki/1,2,3-Triazole,
Triazoles – an overview | ScienceDirect Topics