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Selective gating to vibrational modes through resonant X-ray scattering.

ABSTRACT: The dynamics of fragmentation and vibration of molecular systems with a large number of coupled degrees of freedom are key aspects for understanding chemical reactivity and properties. Here we present a resonant inelastic X-ray scattering (RIXS) study to show how it is possible to break down such a complex multidimensional problem into elementary components. Local multimode nuclear wave packets created by X-ray excitation to different core-excited potential energy surfaces (PESs) will act as spatial gates to selectively probe the particular ground-state vibrational modes and, hence, the PES along these modes. We demonstrate this principle by combining ultra-high resolution RIXS measurements for gas-phase water with state-of-the-art simulations.

SUBMITTER: Couto RC

PROVIDER: S-EPMC5263870 | biostudies-other | 2017 Jan

REPOSITORIES: biostudies-other

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Selective gating to vibrational modes through resonant X-ray scattering.

Couto Rafael C RC Cruz Vinícius V VV Ertan Emelie E Eckert Sebastian S Fondell Mattis M Dantz Marcus M Kennedy Brian B Schmitt Thorsten T Pietzsch Annette A Guimarães Freddy F FF Ågren Hans H Gel'mukhanov Faris F Odelius Michael M Kimberg Victor V Föhlisch Alexander A

Nature communications 20170120

The dynamics of fragmentation and vibration of molecular systems with a large number of coupled degrees of freedom are key aspects for understanding chemical reactivity and properties. Here we present a resonant inelastic X-ray scattering (RIXS) study to show how it is possible to break down such a complex multidimensional problem into elementary components. Local multimode nuclear wave packets created by X-ray excitation to different core-excited potential energy surfaces (PESs) will act as spa ...[more]

PMID: 28106058

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