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The Vibrational Inelastic Neutron Scattering Spectrum of Dodecahedrane: Experiment and DFT Simulation
Author(s) -
Hudson Bruce S.,
Braden Dale A.,
Parker Stewart F.,
Prinzbach Horst
Publication year - 2000
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/(sici)1521-3773(20000204)39:3<514::aid-anie514>3.0.co;2-b
Subject(s) - inelastic neutron scattering , inelastic scattering , atomic physics , neutron , x ray raman scattering , spectrum (functional analysis) , neutron scattering , resonant inelastic x ray scattering , physics , scattering , molecular physics , nuclear physics , optics , quantum mechanics
Vibrational frequencies that are forbidden in Raman and IR absorption can be observed by inelastic neutron scattering. In the case of the I h ‐symmetrical molecule dodecahedrane (shown schematically), the resulting spectrum agrees with a DFT calculation.