Nitrogen Quadrupole Coupling Constants of Nitrobenzene and o‐Nitrophenol

Abstract

AbstractThe microwave spectra of nitrobenzene, C6H5NO2, and o‐nitrophenol, C6H4 (OH)NO2, have been observed with high resolution using a waveguide microwave Fourier transform spectrometer. Nuclear quadrupole hyperfine structures have been resolved and analysed to obtain the following nitrogen quadrupole coupling constants: χaa = ‐1.1589 (24) MHz, χbb = 0.3195 (36) MHz, χcc = 0.8394 (36) MHz for nitrobenzene; χaa = ‐1.234 (4) MHz, χbb = 0.348 (3) MHz, χcc = 0.886 (3) MHz for o‐nitrophenol. For nitrobenzene, the variation of the coupling constants with torsional state has also been studied.