$n$ ORBITAL ROTATION IN THE LOWEST TRIPLET STATE OF BENZOPHENONE

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 Title: $n$ ORBITAL ROTATION IN THE LOWEST TRIPLET STATE OF BENZOPHENONE Creators: Dinse, K.- P.; Pratt, D. W. Issue Date: 1981 Abstract: We report measurements of the zero-field and high-field optically-detected magnetic resonance and ENDOR spectra of $^{3}(n \Pi^{*}$) benzophenone-$’‘17O. d_{10}$ in the single crystal host $4,4^{\prime}-dibromodiphenylether$. The date provide values for both the principal components and the directions of the principal axes of the $^{17}O$ hpyerfine $(A^{0})$ and quadrupole $(P^{0})$ tensors of the lowest triplet state, information which bears directly on the question of $n$ electron delocalization in this prototype system. Somewhat to our surprise, we find that the transverse principal axes of ${\bf A}^{0}$ are not parallel to the corresponding symmetry axes of the $C_{1}-C(O)-C_{1}^{\prime}$ fragment in the guest molecule; i.e., that the $n$ orbital is rotated out of the carbonyl plane. The possible origins of this effect, as well as its consequences for the photochemical and photophysical behaviour of other carbonyl-containing molecules, will be discussed. URI: http://hdl.handle.net/1811/11511 Other Identifiers: 1981-FB-9