Publication
- Names
-
- I. Freund
- R. S. Halford
- Title
- Motions of Molecules in Condensed Systems. XIII. Polarized Infrared Spectrum of Single Crystals of Diacetylene
- Abstract
- The polarized infrared spectra of single crystals of diacetylene, as well as those of the liquid and the vapor, are presented and analyzed. Modes forbidden activity in the vapor are observed in the spectra of the condensed phases, as are combinations of molecular fundamentals with lattice modes. The crystal and liquid spectra exhibit frequency shifts and band broadenings that are characteristic of hydrogen bonding. The crystal system is found to be either orthorhombic or monoclinic with two or more molecules in the primitive unit cell. The molecules are essentially coplanar and this plane is the only symmetry element that may be present at the site. An orthorhombic structure, of Space Group P22$_1$2$_1$ with four molecules on sites of no symmetry, is proposed for the crystal.
- Keywords
- spectroscopy, transmission spectra, band position, band vibration mode, mid-IR, crystal, structure, liquid, molecular solid, C4H2
- Content
- spectral data, band list data, experimental physics
- Year
- 1965
- Journal
- Journal of Chemical Physics
- Volume
- 42
- Number
- 12
- Pages
- 4131 - 4137
- Pages number
- 7
- Document type
- article
- Publication state
- published
- Doi
- 10.1063/1.1695906
- Identifiers
-
- bibcode: 1965JChPh..42.4131F