Non-linear optical properties and absolute structure of metastable 4-methyl benzophenone
-
Werner Kaminsky
Abstract
Metastable 4-methyl benzophenone (4-MBP, C14H12O) crystallizes in the polar (pyroelectric) and enantiomorphic space groups (SG) P31 and P32. The optical rotation tensor has been measured for 670 nm and the material was tested for evidence of phase-matchability. The absolute structure was determined via three-beam diffraction, showing that the structural right-hand screw 31 is combined with positive (right-handed, i.e. clockwise when looking towards the light source) optical rotation, for both tensor components ρ11 = ρ22 = 26(5)°/mm, ρ33 = 8.3(5)°/mm (contrary to low-quartz which shows negative optical rotation for ρ33 and positive rotation for ρ11 in right-hand SG P312).
The non-linear optical tensors for optical rotation, d-coefficients, electro-optic effect and electrogyration have been calculated using a set of electronic polarizabilities as input parameters for a dipole-dipole interaction model that reproduces the experimental refractive indices and optical rotation. Unusually high polarizability volumes are needed for hydrogen atom bonding to aromatic carbons in order to model the optical tensors. The non-linear optical coefficients are of medium size.
© by Oldenbourg Wissenschaftsverlag, München
Articles in the same Issue
- Enumeration of closest-packings by the space group: a simple approach
- Crystal chemistry study of the solid solutions in the system La2BaZnO5—Eu2BaZnO5
- Uranyl oxalate hydrates: structures and IR spectra
- The crystal structure of ZSM-10, a powder X-ray and electron diffraction study
- The structure of the red-brown form of [Fe2(η5-C5H4Me)2(CO)(CN)(μ-CO)(μ-CNMe2)] and its confirmation as a cis isomer
- Crystal structure of silver salicylate C7H5AgO3 solved by reverse Monte-Carlo method from X-ray powder diffraction data and confirmed on single crystal
- Synthesis, crystal structure and magnetic behaviourof a mononuclear Fe(III) — Schiff base metal complex
- The molecular structure of 2-phenylbenzimidazole: a new example of incommensurate modulated intramolecular torsion
- Polymeric topologies in cadmium(II) dithiophosphate adducts of the isomeric n-pyridinealdazines, n = 2, 3 and 4
- Non-linear optical properties and absolute structure of metastable 4-methyl benzophenone
Articles in the same Issue
- Enumeration of closest-packings by the space group: a simple approach
- Crystal chemistry study of the solid solutions in the system La2BaZnO5—Eu2BaZnO5
- Uranyl oxalate hydrates: structures and IR spectra
- The crystal structure of ZSM-10, a powder X-ray and electron diffraction study
- The structure of the red-brown form of [Fe2(η5-C5H4Me)2(CO)(CN)(μ-CO)(μ-CNMe2)] and its confirmation as a cis isomer
- Crystal structure of silver salicylate C7H5AgO3 solved by reverse Monte-Carlo method from X-ray powder diffraction data and confirmed on single crystal
- Synthesis, crystal structure and magnetic behaviourof a mononuclear Fe(III) — Schiff base metal complex
- The molecular structure of 2-phenylbenzimidazole: a new example of incommensurate modulated intramolecular torsion
- Polymeric topologies in cadmium(II) dithiophosphate adducts of the isomeric n-pyridinealdazines, n = 2, 3 and 4
- Non-linear optical properties and absolute structure of metastable 4-methyl benzophenone
