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  • 1
    Electronic Resource
    Electronic Resource
    s.l. : American Chemical Society
    The @journal of physical chemistry 〈Washington, DC〉 98 (1994), S. 8424-8430 
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    s.l. : American Chemical Society
    Macromolecules 25 (1992), S. 3164-3169 
    ISSN: 1520-5835
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
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  • 3
    Electronic Resource
    Electronic Resource
    s.l. : American Chemical Society
    Macromolecules 24 (1991), S. 3662-3665 
    ISSN: 1520-5835
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology , Physics
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  • 4
    Electronic Resource
    Electronic Resource
    s.l. : American Chemical Society
    Macromolecules 24 (1991), S. 5535-5538 
    ISSN: 1520-5835
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
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  • 5
    Electronic Resource
    Electronic Resource
    Bognor Regis [u.a.] : Wiley-Blackwell
    Journal of Polymer Science Part B: Polymer Physics 35 (1997), S. 2843-2855 
    ISSN: 0887-6266
    Keywords: interface structure ; spectroscopy ; phase transition ; polymer solution properties ; Physics ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: The structures, in particular the amount of conformational order in terms of the trans/gauche ratio of the methylene units, associated with monolayer films at the air-water interface, of a phospholipid, 1,2-dipalmitoyl-sn-glycero-3-phosphocholine, a vinyl comblike polymer, poly(octadecyl acrylate) and a hairy-rod co-polyglutamate with long alkyl side chains, all have been studied by external reflectance Fourier transform infrared spectroscopy. The structures of these monolayers were monitored as a function of molecular area/surface pressure and subphase temperature using a microcomputer-controlled Langmuir trough interfaced to an infrared spectrometer. The unique features of this combination of techniques permit the direct evaluation of the molecular dynamics associated with the formation and collapse of spread monolayer films at the air-liquid interface, as well as the description of the adsorption kinetics of amphiphile molecules at an air-solution interface. The conformation sensitive methylene stretching vibrations of the hydrocarbon side chains proved to be extremely sensitive indicators of conformational change during slow dynamic compression of the Langmuir films changing from expanded to more condensed monolayer states up to their collapse region. The three systems exhibit significantly different spectroscopic features that can be directly associated with differences in the intermolecular packing. The effect of temperature (from +8 to +27°C) on the molecular order for compressed monolayers of poly(octadecyl acrylate) was also studied. The frequencies of the methylene stretching bands for the liquid crystalline co-polyglutamate showed that at high compression, the long flexible hydrocarbon side chains were mostly in an all-trans configuration. At low compression, the side chains became disordered and contained a large fraction of gauche configurations. © 1997 John Wiley & Sons, Inc. J Polym Sci B: Polym Phys 35: 2843-2855, 1997
    Additional Material: 12 Ill.
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  • 6
    Electronic Resource
    Electronic Resource
    Chichester [u.a.] : Wiley-Blackwell
    Journal of Raman Spectroscopy 21 (1990), S. 615-628 
    ISSN: 0377-0486
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: The Raman (4000-10 cm-1) and infrared (4000-80 cm-1) spectra of methyl nitrite, CH3ONO, and methyl nitrite-d3 were recorded in the gas and solid phases. Additionally, the Raman spectra of the pure liquids were recorded and qualitative depolarization values were obtained. Support for the interpretation of these new data is provided by ab initio calculations using the 6-31G* basis set. Complete equilibrium geometries have been determined for both conformers, as well as structures for every 30° rotation about the N—O bond. These calculations give a cis/trans barrier of 4015 cm-1 (11.5 kcal mol-1), a trans/cis barrier of 3504 cm-1 (10.0 kcal mol-1) and an enthalpy difference between conformers of 511 cm-1 (1.5 kcal mol-1) with the cis form being more stable. From a variable temperature Raman study of liquid methyl nitrite-d3 it is concluded that the cis form is also more stable in this phase with an enthalpy difference between conformers of 262 ± 3 cm-1 (750 ± 9 cal mol-1). A complete assignment of the vibrational fundamentals is proposed based on band contours, depolarization values, group frequencies and shift factors for the two isotopomers. These assignments are supported by normal coordinate analyses using the ab initio force fields to obtain frequencies and potential energy distributions for both conformers.
    Additional Material: 9 Ill.
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  • 7
    ISSN: 0377-0486
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: The Raman (1800-10 cm-1) and infrared (2000-30 cm-1) spectra of bromodifluoroacetyl chloride, CBrF2CClO, are reported for the gas and polycrystalline solid. Additionally, the Raman spectrum of the liquid along with qualitative depolarization ratios have also been obtained. These data have been interpreted on the basis of an equilibrium between the gauche and the trans conformers (bromine atom trans to the chlorine atom) in the gas and liquid phases. From a study of the Raman spectrum of the liquid at various temperatures, a value of 851 ± 56 cm-1 (2.43 ± 0.07 kcal mol-1) was obtained for ΔH with the gauche conformer the more stable form. A similar study of the gas gave a value of 725 ± 150 cm-1 (2.07 ± 0.43 kcal mol-1), again with the gauche rotamer the more stable conformer. Hence the gauche conformer is the predominate rotamer in the gas and liquid and the only conformer present in the annealed solid. Aided by ab initio and scaled computations of the vibrational spectrum with the STO-3G* basis set and, for the trans conformer at the 4-31G*/MIDI-4* level of the theory, complete assignments of observed bands to fundamental vibrations of the gauche conformer are made, whereas partial assignment is reported for the trans conformer. The fundamental torsional mode for the gauche conformer was observed at 46 cm-1 but excited-state transitions were not observed so the potential function governing the conformational interchange could not be determined. Optimized geometries, dipole moments, unscaled and scaled vibrational frequencies and harmonic force fields are reported for both conformers. With the STO-3G*, basis set, the gauche conformer is calculated to be more stable than the trans conformer by 17 cm-1 (48 cal mole-1). These results are compared with the corresponding quantities for some similar molecules.
    Additional Material: 8 Ill.
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  • 8
    ISSN: 0377-0486
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: The Raman (3200-30 cm-1) and infrared (3200-50 cm-1) spectra of 1,1-dichloromethyl methyl ether are reported for the gas, liquid, amorphous solid and annealed polycrystalline solid. These spectral data were interpreted on the basis that in the fluid phases there is a mixture of trans and gauche conformers but only the trans conformer remains in the annealed solid. From the temperature-dependent relative intensity of Raman bands at 379 and 427 cm-1 in the liquid, an enthalpy difference of 656 ± 84 cm-1 (1.88 ± 0.24 kcal mol-1 or 7.85 ± 1.0 kJ mol-1) was obtained with the trans conformer the more stable form. Complete vibrational assignments are made for the much more abundant trans form, and a number of fundamentals are assigned for the gauche conformer with the aid of ab initio computations made with the 3-21G and 6-31G* basis sets. The harmonic force fields obtained using the 3-21G basis set are reported for both conformers together with scaled and unscaled wavenumbers and the accompanying potential energy distributions. The results are compared with the corresponding quantities obtained for some similar molecules.
    Additional Material: 10 Ill.
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  • 9
    Electronic Resource
    Electronic Resource
    Chichester [u.a.] : Wiley-Blackwell
    Journal of Raman Spectroscopy 21 (1990), S. 585-590 
    ISSN: 0377-0486
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: The depolarized component of Paman scattering by pure liquid HCl and DCl and of solutions of these acid halides in liquid CO2 are reported. At room temperature the band contours show no S branch intensity in pure acid halide liquid, but in solution in liquid CO2 and S branch is increasingly evident with increasing CO2 concentration. The frequency shifts are a function of the dielectric constant and refractive index of the solution. Reorientational correlation functions calculated from the anisotropic scattering decay more slowly in the first few tens of femtoseconds than predicted for monomeric acid halides, suggesting contribution to the composite correlation function by species of larger moments of inertia but vibrational frequencies identical with those of the monomers.
    Additional Material: 7 Ill.
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  • 10
    Electronic Resource
    Electronic Resource
    Chichester [u.a.] : Wiley-Blackwell
    Journal of Raman Spectroscopy 8 (1979), S. 180-184 
    ISSN: 0377-0486
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: Complete Raman data are reported for the ν1, ν6 and ν8 regions of the vibrational spectra of the C2ν deuterium-labeled pyridines and of their water complexes. Raman data are given for frequency shifts observed when some of these pyridines are dissolved in a selection of hydrogen-bonding solvents. The complicated ν8 region is afforded definitive assignment based on Fermi resonance between the A1 component of ν8 and the A1 combination tone ν1 + ν6a, as well as on the ways in which these resonances are made or broken when hydrogen-bonded complexes are formed with the deuterium-labeled pyridines.
    Additional Material: 2 Ill.
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