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X-ray Raman optical activity of chiral molecules.

ABSTRACT: Resonant and off-resonant Raman Optical Activity signals in the X-ray regime (XROA) are predicted. XROA is a chiral-sensitive variant of the spontaneous Resonant Inelastic Scattering (RIXS) signal. Thanks to the highly localized nature of core excitations, these signals provide a direct probe of local chirality with high sensitivity to the molecular structure. We derive sum-over-states expressions for frequency domain XROA signals and apply them to tyrosine at the nitrogen and oxygen K-edges. Time-resolved extensions of ROA made possible by using additional pulses are briefly outlined.

SUBMITTER: Rouxel JR

PROVIDER: S-EPMC6346290 | biostudies-literature | 2019 Jan

REPOSITORIES: biostudies-literature

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X-ray Raman optical activity of chiral molecules.

Rouxel Jérémy R JR Zhang Yu Y Mukamel Shaul S

Chemical science 20181102 3

Resonant and off-resonant Raman Optical Activity signals in the X-ray regime (XROA) are predicted. XROA is a chiral-sensitive variant of the spontaneous Resonant Inelastic Scattering (RIXS) signal. Thanks to the highly localized nature of core excitations, these signals provide a direct probe of local chirality with high sensitivity to the molecular structure. We derive sum-over-states expressions for frequency domain XROA signals and apply them to tyrosine at the nitrogen and oxygen K-edges. Ti ...[more]

PMID: 30774884

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