0000000000318807
AUTHOR
Steven L. Fiedler
showing 3 related works from this author
Electronic Spectroscopy of C2 in Solid Rare Gas Matrixes
2006
Electronic spectroscopy of the C(2) molecule is investigated in Ar, Kr, and Xe matrixes in the 150-500 nm range. In the Ar matrix, the D ((1)Sigma(u)(+)) <-- ((1)Sigma(g)(+)) Mulliken band near 240 nm is the sole absorption in the UV range, whereas in the Kr matrix additional bands in the 188-209 nm range are assigned to the Kr(n)()(+)C(2)(-) <-- Kr(n)()C(2) charge-transfer absorptions. Because of the formation of a bound C(2)Xe species, the spectral observations in the Xe matrix differ dramatically from the lighter rare gases: the Mulliken band is absent and new bands appear near 300 and 423 nm. The latter is assigned to the forbidden B'((1)Sigma(g)(+)) <-- X ((1)Sigma(g)(+)) transition, b…
Effects of static and dynamic perturbations on isotropic hyperfine coupling constants in some quinone radicals.
2004
The effects of solvent dielectric response on the isotropic hyperfine coupling constants of the 1,4-benzoquinone, 1,4-naphthoquinone and 9,10-anthraquinone anions and 1,4-naphthalenediol cation radicals were studied by electron spin resonance (ESR) spectroscopy and by the theoretical density functional method within the polarizable continuum model. Experimental results demonstrate that the isotropic hyperfine coupling constants can be obtained with high accuracy and that the effects of solvent impurities can be minimized by careful sample preparation. The results obtained correlate well with theoretical predictions from density functional theory calculations. For 1,4-naphthalenediol both th…
Charge transfer states of C2 in Kr clusters
2004
Abstract Ab initio and diatomics-in-ionic-systems (DIIS) calculations are carried out for the C 2 –Kr pair and C 2 –Kr n clusters, respectively. Energetics and transition dipole moments between the ground and excited states are obtained from the calculations. This data is then used to predict the UV charge transfer absorption spectrum of C 2 embedded in Kr n clusters with n = 1, 12, and 224. The results reveal discrete structure in the computed UV spectrum, which is mainly related to the spin–orbit splitting of Kr + .