File Name : cp-art-06-2020-003154_fig_s1.tif

Caption : fig. s1: partial atomic charges for (a) neutral 2,3-dicyanothiophene and (b) monoprotonated 2,3-dicyanonophene (c) neutral 2,5-dicyanothiophene and (d) monoprotonated 2,5-dicyanothiophene.

File Name : cp-art-06-2020-003154_fig_s2.tif

Caption : fig. 2: m06-2x/6-31g(d,p) gas phase simulated ir spectra of (a) hcnh+, (b) 2cnth+ and (c) 3cnth+.

File Name : cp-art-06-2020-003154_fig_s3.tif

Caption : fig. 3: comparison of 14n quadrupole hyperfine spectra of (a) 2cnth+ and (b) 3cnth+ for different temperatures (t = 7, 10, 30, 100and300k).