¹H and ¹³C chemical shifts for bis(benzopyridinium) dibromides with semirigid aromatic linkers

Abstract

The 1 H and 13 C NMR resonances for four bisquinolinium and four bisisoquinolinium dibromides were completely and unequivocally assigned, using the concerted application of one-and two-dimensional NMR techniques including nuclear Overhauser effect difference, DEPT, COSY, HETCOR and long-range 13 C -1 H correlation spectroscopy. Atomic charges of the heterocyclic moieties of model cations such as 1-methylquinolinium and 2-methylisoquinolinium are shown to be linearly related to the 13 C chemical shifts of the cationic heads of the title compounds.

NMR spectroscopic characterization of new nonsymmetrical bispyridinium choline kinase inhibitors

“…). This study provides data that are of interest to determine the difference between the chemical shifts of the two pyridinium moieties of these 12 biscationic derivatives and also complete the reference data on the related systems previously reported …”

1H and13C spectral assignment of symmetrical bis[(4-aminosubstituted)quinolinium] derivatives

“…The 1 H and 13 C spectra were recorded in DMSO-d 6 solutions using a Bruker AM-300 spectrometer operating at 300.160 MHz for 1 H and 75.479 MHz for 13 C, and on a Bruker ARX 400 spectrometer operating at 400.132 MHz for 1 H and 100.623 MHz for 13 C (at concentration of ca 3 mM). The centre of the peak of DMSO-d 6 [υ 2.50 ppm ( 1 H) and υ 39.5 ppm ( 13 C)] was used as an internal reference in a 5-mm 13 C/ 1 H dual probe (Wilmad, No.…”

“…The centre of the peak of DMSO-d 6 [υ 2.50 ppm ( 1 H) and υ 39.5 ppm ( 13 C)] was used as an internal reference in a 5-mm 13 C/ 1 H dual probe (Wilmad, No. 528-PP).…”

“…These data are of interest in determining the effect that the substituents have on the chemical shifts of the quinolinium ring and clearly complete the reference data on the related systems reported previously. 6 …”