Production of some derivatives of 1,3,2-dioxastibinane and their vibrational spectra

1984 ◽  
Vol 33 (8) ◽  
pp. 1686-1691 ◽  
Author(s):  
B. A. Arbuzov ◽  
Yu. M. Mareev ◽  
R. R. Shagidullin ◽  
V. S. Vinogradova ◽  
I. Kh. Shakirov
Keyword(s):  
Vibrational Spectra ◽  
Derivatives Of

ChemInform Abstract: AN INTERESTING FEATURE IN THE VIBRATIONAL SPECTRA OF DICARBA-CLOSO-DODECABORAN(12)YL DERIVATIVES OF NONTRANSITION METALS

1979 ◽  
Vol 10 (11) ◽  
Author(s):  
L. A. LEITES ◽  
L. E. VINOGRADOVA ◽  
V. I. BREGADZE ◽  
V. TS. KAMPEL ◽  
A. Y. USIATINSKY
Keyword(s):  
Vibrational Spectra ◽  
Derivatives Of

The synthesis, Mössbauer and vibrational spectra of some triorganotin derivatives of phosphorus oxyacids

1976 ◽  
Vol 54 (14) ◽  
pp. 2184-2192 ◽  
Author(s):  
T. Chivers ◽  
J. H. G. Van Roode ◽  
J. N. Ruddick ◽  
J. R. Sams
Keyword(s):  
Oxygen Atom ◽  
Sodium Salt ◽  
Vibrational Spectra ◽  
Formula Unit ◽  
Silver Phosphate ◽  
Trigonal Bipyramidal ◽  
Bipyramidal Structure ◽  
Trimethyltin Chloride ◽  
Mössbauer Data ◽  
Derivatives Of

Trimethyltin hypophosphite, Me3SnPO2H2, bis(trimethyltin) phosphite dihydrate, (Me3Sn)2PO3H.2H2O, and bis(triphenyltin) phosphite, (Ph3Sn)2PO3H, have been obtained from the organotin chloride and aqueous solutions of the sodium salt of the corresponding phosphorus oxy-acid. (Me3Sn)2PO3H.2H2O can be dehydrated under vacuum at 25 °C, but disproportionation occurs on heating. Tris(trimethyltin) orthophosphate, (Me3Sn)3PO4, was prepared from trimethyltin chloride and silver phosphate in methanol and gave an adduct formulated as [Formula: see text] after recrystallization from 1,4-dioxane. Vibrational spectra and Mössbauer data for Me3SnPO2H2 are consistent with a trigonal bipyramidal structure in which planar Me3Sn groups are bridged symmetrically by PO2H2 groups. The Mössbauer spectra of (Me3Sn)2PO3H, (Ph3Sn)2PO3H, and (Me3Sn)2PO3H.2H2O suggest that the two tin atoms are in similar (probably pentacoordinate) environments, implying at least one three coordinate oxygen per formula unit. For (Me3Sn)3PO4, the vibrational spectra, Mössbauer data, and physical properties are consistent with a weakly associated structure in which all three tin atoms are in similar environments. It is suggested that association is achieved via the phosphoryl (P=O) oxygen atom, which is weakly coordinated to three tin atoms leading to a distortion of the tetrahedral arrangement around tin towards trigonal bipyramidal.

The vibrational spectra (100–1500 cm−1) of a series of bicyclo[3.2.1]octanes assigned by means of scaled 3-21G ab initio harmonic force fields

1993 ◽  
Vol 71 (4) ◽  
pp. 578-609 ◽  
Author(s):  
Thomas Eggimann ◽  
Nan Ibrahim ◽  
R. Anthony Shaw ◽  
Hal Wieser
Keyword(s):  
Ab Initio ◽  
Vibrational Spectra ◽  
Force Fields ◽  
Basis Set ◽  
Average Error ◽  
Field Scale ◽  
Harmonic Force ◽  
First Time ◽  
Derivatives Of ◽  
Phase Spectra

The infrared absorption (vapor phase and solution) and Raman (liquid phase) spectra of bicyclo[3.2.1]octane, 8-oxabicyclo[3.2.1]octane, 6-oxabicyclo[3.2.1]octane, 6,8-dioxabicyclo[3.2.1]octane, and the 7,7-dideutero-substituted derivatives of the last two compounds are reported in the region 100–1500 cm−1 for the first time. The vibrational spectra are assigned almost completely with the guidance of ab initio 3-21G geometries and scaled force fields. A total of 14 force-field scale facors are transferred from smaller molecules, predicting the frequencies with an average error of 7.6 cm−1 (1.2%) for 196 assigned transitions. After optimizing the factors in an overlay refinement involving all six molecules, the frequencies are within 5.7 cm−1 (0.75%) of experiment. The ab initio absorption and Raman intensities are calculated with the 3-21G basis set and are demonstrated to be of such accuracy as to be useful for the spectral assignments. These intensities are calculated with uniformly and nonuniformly scaled force fields and compared to the experimental spectra. The intensities derived from the latter force fields are superior, meaning that nonuniform scaling is preferable at this level of theory for both vibrational frequencies and normal mode descriptions.

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