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• W1998447767 abstract "Infrared (4000-30 cm−1) and Raman (4000-0 cm−) spectra of single crystals of α-oxalic acid (Pcab, Z=4) have been investigated at 100 and 300 K. A complete assignment of all modes in terms of symmetry species and to internal, librational, translational, and hydrogen bond motions is given. In order to interpret the spectra and to determine the crystal field, several normal-coordinate calculations (free molecule, rigid body model, unit cell as a supermolecule) have been carried out. The calculations are in good agreement with the experimental results and show the importance of different intermolecular forces: OH … O hydrogen bonds and very short C … O interactions lead to both unusually strong correlation field splitting and high lattice frequencies while quadrupole-quadrupole and CO dipole-dipole interactions influence lattice and some internal vibrations, respectively. The intermolecular potentials obtained for α-oxalic acid are transferable to the β form having a different crystal structure (P21/c, Z = 2) and stronger hydrogen bonds." @default.
• W1998447767 created "2016-06-24" @default.
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• W1998447767 date "1982-12-01" @default.
• W1998447767 modified "2023-09-27" @default.
• W1998447767 title "α- And β Pahases of oxalic acid, H2C2O4: Vibrational spectra, normal-coordinate calculations, and intermolecular forces" @default.
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• W1998447767 doi "https://doi.org/10.1016/0301-0104(82)85170-7" @default.
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