Structure and spectroscopy of propane and propene in the solid state from neutron powder diffraction and inelastic neutron scattering

Fortes, A.D.; Howard, C.M.; Parker, S.F.

doi:10.1107/S2052252526007797

Figure 16
Comparison of calculated (this work) and experimental (Hudson et al., 2021

) IR spectra of propene-H6, illustrating good agreement between the spectrum of the $[I {\overline 4}]$ phase and propene-I, and between the P2₁2₁2₁ phase and propene-II. Arrows indicate the pertinent horizontal and vertical axes from which to read for each displayed set of data. Note that the wavenumbers of the computed spectra are offset slightly from those of the observed data to provide visual congruity.

IUCrJ

Volume 13| Part 6| November 2026|

ISSN: 2052-2525

https://doi.org/10.1107/S2052252526007797

CHEMISTRY | CRYSTENG

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access