Experimental momentum profiles of the lone pair orbitals of several thiols and dimethyl sulfide have been measured and compared with theoretical momentum profiles. All the observed profiles exhibit p-rype character, confirming that the orbitals have been characterized as sulfur nonbonding orbitals. However, small shifts in the profiles are found, depending on substituents. The results are discussed in relation to the geometries of the molecules.
ASJC Scopus subject areas
- Physical and Theoretical Chemistry