A simple approach to the anharmonic structural analysis of molecules by electron diffraction
โ Scribed by A.G. Gershikov; V.P. Spiridonov
- Publisher
- Elsevier Science
- Year
- 1983
- Tongue
- English
- Weight
- 545 KB
- Volume
- 101
- Category
- Article
- ISSN
- 0022-2860
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
X-ray fiber diffraction is a technique most often used to establish the structure of chemically regular crystalline polymers. However, this technique has many shortcomings. Some of them are: ambiguities regarding the choice of the space group, limited intensity data, often large diffraction spots, a
Ddfractmn data on Baize analyzed by a new approach, mdlcate an anhz.rmomc otentlal wth il barrier of 71(12) cm-\* at a hnear geometry The structural and vlbratlonal parameters were found to be &No) = 3 150(7)A,~&k~I= 148.0(9)a, .f, = 0 69 (8) mdyn/A, &, = 0 14(6) mdyn/A, k~ = -0 0075(15) mdyn/A, kg
A dynamIca: model IS developed appropnate for symmetric tnatomlc molecules with large-amphtude bendmg motion The total hamdtoruan IS separated mto rotation-bendmg and stretching parts The bendmg potent& LS approximated by a quartw-harmonic functmn. In the denvatmn of the mten=\*+\_J equntlon a curvl