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Vibrational studies on conformational equilibrium in dimethylmethylphosphonate and methyldimethylphosphinate

✍ Scribed by B.J. Van der Veken; M.A. Herman; A.J. Barnes

Publisher
Elsevier Science
Year
1983
Tongue
English
Weight
628 KB
Volume
99
Category
Article
ISSN
0022-2860

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πŸ“œ SIMILAR VOLUMES

Equilibrium Structure and Fundamental Vi
Equilibrium Structure and Fundamental Vibrational Wavenumbers in Difluorosilanone: An ab Initio Study
✍ J. Breidung; W. Thiel πŸ“‚ Article πŸ“… 2000 πŸ› John Wiley and Sons 🌐 German βš– 73 KB

High-level ab initio calculations with large basis sets have been performed for difluorosilanone, F 2 SiO. Based on these calculations, an empirically corrected theoretical equilibrium structure is derived: r e (SiO) = 149.8(1) pm, r e (SiF) = 155.5(1) pm, a e (FSiF) = 104.7(3)Β°. Furthermore, these