The asymmetry parameters of the electric field gradient at the 35Cl nuclei in polycrystalliae compounds of the 2-, 3-and 4-XC&CHzCl (X = CH,, CI) series were measured at 77 K. The data obtained directly indicate the almost axial symmetry of the electric field gradient at the "Cl nuclei, and the part
Asymmetry parameters of the electric field gradient at the 35Cl nuclei of (3-chloropropyl)trichlorostannane
โ Scribed by V.P. Feshin; G.V. Dolgushin; M.G. Voronkov; Ju.E. Sapozhnikov; Ja.B. Jasman; V.I. Shirjaev
- Publisher
- Elsevier Science
- Year
- 1985
- Tongue
- English
- Weight
- 312 KB
- Volume
- 295
- Category
- Article
- ISSN
- 0022-328X
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๐ SIMILAR VOLUMES
Ab initio molecular orbital calculations of the (CNCI), (cyanuric chloride; 2,4,6-trichloro-1,3,5-triazine) molecule were performed at the RHF/6-31G\* level. The "CI NQR frequency and asymmetry parameter of the EFG at the 35CI nucleus were calculated from the total populations of the CI atom valence
An OCE SCF calculation on HCI has been performed using P 29-ST0 basis. The electric field gradient at tic Cl nucleus is shown to arise principally from electron density very close to the Cl nucleus, as in ND', but in contrrrst to the situation in HD.