H. Takahashi et al., ELECTRON MOMENTUM SPECTROSCOPY STUDY OF LONE-PAIR ORBITALS OF THIOLS AND DIMETHYL SULFIDE, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(4), 1997, pp. 528-532
Experimental momentum profiles of the lone pair orbitals of several th
iols and dimethyl sulfide have been measured and compared with theoret
ical momentum profiles. All the observed profiles exhibit p-type chara
cter, confirming that the orbitals have been characterized as sulfur n
onbonding orbitals. However, small shifts in the profiles are found, d
epending on substituents. The results are discussed in relation to the
geometries of the molecules.