01404nas a2200169   4500008004100000022001400041245021100055210006900266260007100335300001400406490000700420520060800427100001801035700002401053700002601077856013101103       2016                        eng d  a0022-326300aApplication of roof-shape amines as chiral solvating agents for discrimination of optically active acids by NMR spectroscopy: study of match-mismatch effect and crystal structure of the diastereomeric salts0 aApplication of roofshape amines as chiral solvating agents for d  a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcSEP  a7384-73920 v813 a<p>Optically active roof-shape amines were prepared and scanned as chiral solvating agents to study molecular recognition of acids by NMR analysis. Three types of amines were studied to establish a match mismatch effect for structurally diverse acid analytes. Single-crystal X-ray diffraction analysis was performed on the diastereomeric salts of roof shape amines and both isomers of mandelic acid to establish molecular conformation and correlate the absolute configuration with the observed NMR shift. The present system also recognizes the two isomers of weakly acidic BINOL and its derivatives.</p>1 aGupta, Riddhi1 aGonnade, Rajesh, G.1 aBedekar, Ashutosh, V.  uhttps://library.ncl.res.in/content/application-roof-shape-amines-chiral-solvating-agents-discrimination-optically-active-acids01509nas a2200229   4500008004100000022001400041245012200055210006900177260000800246300001600254490000600270520069400276653002800970653002600998653002101024653002101045653002001066100001801086700002401104700002601128856012501154       2020                        eng d  a2365-654900aEffect of substituent of roof shape amines on the molecular recognition of optically active acids by NMR spectroscopy0 aEffect of substituent of roof shape amines on the molecular reco  cNOV  a13183-131900 v53 a<p>Optically active roof shape derivatives of benzyl amines were synthesized and screened as chiral solvating agents for the study of molecular recognition of chiral compounds by NMR and UV spectroscopy. The effect of substituents on the aromatic ring of benzyl unit is investigated to assess the binding ability with the analyte and an experimental correlation is observed. Altering the substituents on the ring of benzyl amine and the acidic substrates, significantly influence the CSA interactions. The supramolecular interactions between acid and amine in the single crystal X-ray analysis of the diastereomeric salts provide further insight of the mode of molecular recognition.</p>
10aChiral Solvating Agents10amolecular recognition10aNMR spectroscopy10aRoof Shape Amine10aUV spectroscopy1 aGupta, Riddhi1 aGonnade, Rajesh, G.1 aBedekar, Ashutosh, V.  uhttps://library.ncl.res.in/content/effect-substituent-roof-shape-amines-molecular-recognition-optically-active-acids-nmr