14933-78-9Relevant academic research and scientific papers
1H and 17O NMR study of H-bond dynamics in picolinic acid N-oxide solutions in acetonitrile-h3 and acetonitrile?d3: Novel aspects of old casus
Mar?alka, Arūnas,Dagys, Laurynas,Jakubkien?, Virginija,Tumkevi?ius, Sigitas,Balevicius, Vytautas
, p. 17 - 22 (2018)
Despite apparent similarity, two isotopomers of acetonitrile (ACN-h3 and ACN-d3) show unexpected differences in their structural and dynamic properties. These differences cannot be fully understood within the usual isotope effect and therefore called as unresolved casus. Sensing the solvent properties, the H-bond dynamics of picolinic acid N-oxide (PANO) in ACN was studied using 1H and 17O NMR. Several overlapping factors, like the presence of micro-traces of water, liquid-liquid equilibrium, effect of ionic ingredient, etc., which may cause the observed anomalies in the dependences of PANO chemical shift and signal width on temperature, were analyzed. The deuterium isotope effect on the phase separation in organic solute/water mixtures was deduced to be the crucial factor inducing those surprising differences between ACN-h3 and ACN-d3. Thus the casus could be resolved within the second-order phase transition model, in which the vibrational contributions to the intermolecular interaction energies would be properly taken into account.
Structural designs and property characterizations for second-harmonic generation materials
Cheng, Wen-Dan,Lin, Chen-Sheng,Zhang, Wei-Long,Zhang, Hao
, p. 1 - 41 (2012)
Second-harmonic generation (SHG) materials only exist in solids that have no inversion center space groups, and they are constructed by the building blocks or chromophores of noncentrosymmetricity (NCS). In this chapter, we employed one or multiple chromophores that result from the coordination structure distortions of a d0 cation, polar displacement of d 10 cation center, a stereochemically active lone pair (SCALP) of cations, and asymmetrical delocalization π-charge systems, as building blocks to obtain some new compounds with NCS space group. The single-crystal structures were characterized, and physical properties, in particular SHG responses, were measured for these compounds. The electronic structures and density of states were calculated by DFT method, and the SHG properties are simulated to gain an insight into the relations between structure and NLO properties for the materials. The electronic origination of large SHG responses was assigned in terms of the calculated results.
APPLICATION OF ORGANOLITHIUM AND RELATED REAGENTS IN SYNTHESIS. PART 7. SYNTHESIS AND METALLATION OF 4-METHOXYPICOLIN- AND 2-METHOXYISONICOTIN-ANILIDES. A USEFUL METHOD FOR PREPARATION OF 2,3,4-TRISUBSTITUTED PYRIDINES
Epsztajn, Jan,Bieniek, Adam,Plotka, Mieczyslaw W.,Suwald, Krzysztof
, p. 7469 - 7476 (2007/10/02)
The synthesis and metallation of 4-methoxypicolin- and 2-methoxyisonicotin-anilides as a way of regiospecific transformation of picolinic and isonicotinic acids into 2,3,4-trisubstituted pyridines, is described.The resulted C-alkylated derivatives underwent smooth acid - catalysed conversion into the corresponding pyridones.
