Raman and ir spectra of the glycyl-L-proline (GP) dipeptide were recorded. A normalcoordinate treatment was performed on the basis of the experimental spectra, using a modified Urey-Bradley force field (MUBFF). Cyclic redundancies were eliminated, and those due to the ring methylene groups, particul
Raman spectra and normal vibrations of dipeptides. I. Glycylglycine
β Scribed by P. Lagant; G. Vergoten; M. H. Loucheux-Lefebvre; G. Fleury
- Publisher
- Wiley (John Wiley & Sons)
- Year
- 1983
- Tongue
- English
- Weight
- 551 KB
- Volume
- 22
- Category
- Article
- ISSN
- 0006-3525
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β¦ Synopsis
We studied the Raman spectra of the zwitterionic glycylglycine crystal (GG) and its Ndeuterated analog. A normal coordinate analysis on its a-crystalline form was performed and the effects of intra-and intermolecular couplings are discussed. A modified Urey-Bradley potential was used as a model of the intramolecular force field. Factor group splittings are described by the use of intermolecular potentials consisting of nonbonded atom-atom interactions and dipole-dipole interactions. Effects of hydrogen bonds on the vibrational frequencies of amino and carboxylate groups are also analyzed.
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The vibrational wavenumbers of kyotorphin [L-Tyr 1 -D-Arg 2 ] analogue (D-KTP) was determined by using theoretical and experimental methods. The optimised structure of kyotorphin was obtained on the basis of parameter set determined for L-tyrosine and D-arginine molecules. After then the vibrational
## Abstract The Raman spectra of gaseous, liquid and solid CH~3~PF~2~ and the infrared spectra of the gas and solid have been recorded (3200β20 cm^β1^). The assignment of the 15 fundamentals is given and discussed and is based on the gas phase infrared band contours, depolarization values and group