A. Boucetta et al., UV-VISIBLE LUMINESCENCE ANALYSIS OF PARA- NITROANALINE, Spectrochimica acta. Part A: Molecular spectroscopy, 50(13), 1994, pp. 2249-2259
The modification spectra of p-nitroaniline were evidenced by dipolar i
nteraction effects and hydrogen bond complexes. This complexation was
obtained either with the water traces present as impurity in aprotic s
olvents at low temperature, or by direct associations with OH groups i
n protic solvent's. It conferred on the molecule a twisted conformatio
n in the ground state due to the rotation of the NH2 group around the
C-NH2 bond. This important result agrees with an anomalous result obta
ined in emission data which shows dependence of fluorescence/phosphore
scence intensity ratio (I-f/I-pn on excitation energy. It is explained
by mixed rotamers that exhibit this molecule in the ground state. The
calculated geometry characteristics for this molecule show the abilit
y of some theoretical methods to reproduce accurately the experimental
data.