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Core excitation in localized to one of two symmetry-equivalent chemical bonds: Molecular alignment through vibronic coupling
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10.1063/1.1881192
/content/aip/journal/jcp/122/15/10.1063/1.1881192
http://aip.metastore.ingenta.com/content/aip/journal/jcp/122/15/10.1063/1.1881192
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

Definition of the angles and .

Image of FIG. 2.
FIG. 2.

The excitation and dissociation processes according to the model for localized (left) and delocalized excitations (right), respectively. The core-excited atoms () are gray shaded. The profiles at the bottom are added to the measured spectrum in Fig. 3.

Image of FIG. 3.
FIG. 3.

RAE spectrum of (circles) excited to . The solid and dotted lines are the profiles from Fig. 2 for transition and transition, respectively.

Image of FIG. 4.
FIG. 4.

Illustration of valence orbital localization after excitation. The preferred molecular orientation is with the bond including the core-excited atom () parallel to the -vector. The atomic orbital is indicated, illustrating the localized orbital.

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/content/aip/journal/jcp/122/15/10.1063/1.1881192
2005-04-15
2014-04-19
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Core excitation in O3 localized to one of two symmetry-equivalent chemical bonds: Molecular alignment through vibronic coupling
http://aip.metastore.ingenta.com/content/aip/journal/jcp/122/15/10.1063/1.1881192
10.1063/1.1881192
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