The B1 A ″ (000)↔ X1 A ′ (000) band system of a cold beam of CuOH has been studied field-free and in the presence of a static electric field. The Stark tuning of the low-J levels of the X 1 A ′ (000) state were analyzed to give a value of 3.968(32) D for the a-component of the permanent electric dipole moment, a. An upper limit of 0.3 D for a(B1 A ″) is established from the lack of observable Stark tuning for the low-J levels of the B 1 A ″ (000) state. The experimental value for a(X1 A ′) is compared to theoretical predictions and other Cu-containing molecules. A molecular orbital correlation diagram is used to rationalize the large change in a upon excitation. The electronegativity of OH was determined to be 2.81 from a comparison of the determined a with the experimental values for CuF, CuO, and CuS.
|Original language||English (US)|
|Journal||Journal of Chemical Physics|
|State||Published - Jan 7 2011|
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry