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Infrared Spectra and Quantum-Chemical Studies of Disilylmethanes

✍ Scribed by McKean, Donald C.


Book ID
127232418
Publisher
American Chemical Society
Year
2003
Tongue
English
Weight
141 KB
Volume
107
Category
Article
ISSN
1089-5639

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Infrared spectra of (CH 3 ) 2 SiH 2 and (CH 3 ) 2 SiD 2 have been reinvestigated. Quantum-chemical calculations of geometry and force fields have been made at the HF, MP2, and B3LYP levels, followed by scaling of the force field with 14 independent parameters. Several vibration frequencies are reass

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Infrared and Raman spectra in the gas phase are reported for trimethoxyborane, B(OCH 3 ) 3 , and its 13 C 3 and d 9 isotopomers. Some liquid phase Raman data were also obtained. Quantum-chemical (QC) studies of structure and force field have been made with B3LYP and MP2 models. These studies highlig