Tm. Ivanova et al., X-RAY PHOTOELECTRON-SPECTRA AND ELECTRONIC-STRUCTURE OF PYRAZOLANTHRONE AND ITS DERIVATIVES, Russian chemical bulletin, 43(11), 1994, pp. 1931-1934
X-ray photoelectron spectroscopy (XPS) was used to investigate the ele
ctronic structures of pyrazolanthrone and its derivatives on the basis
of quantum-chemical data. The high mobility of hydrogen atoms adjacen
t to the pyrrole atom as well as the existence of an intermolecular hy
drogen bond were hypothesized. The considerable influence of the carbo
nyl group on redistribution of electronic density in a pyrazole fragme
nt was observed.