Arguments based on bond-stretching frequencies, nuclear quadrupole coupling constants and bond le... more Arguments based on bond-stretching frequencies, nuclear quadrupole coupling constants and bond lengths indicate that bonds having the same strength factor can have different electronic structures. It is then argued that a more useful probe for obtaining an insight into bond character is provided by infrared band intensities which can be analyzed to yield values for the constants occurring in bond moment functions. A new bond moment theory, in which the concept of "rehybridization moments" is introduced, is described. Using this theory, self-consistent values are obtained for the bond moment constants governing the band intensities for the molecules HCN, CsH6 and CPH4.
Origin and role of rehybridization moments in determining infra-red intensities
Transactions of the Faraday Society, 1971
... Page 6. G . JALSOVSZKY AND WJ ORVILLE-THOMAS 1899 ... For first row atoms the non-vanishing i... more ... Page 6. G . JALSOVSZKY AND WJ ORVILLE-THOMAS 1899 ... For first row atoms the non-vanishing integrals are (2s[x12pX}, (2sIy]2pY} and (2slz2p2). On the basis of Slater orbitals they can be evaluated by elementary integration, eg, ~ 2 ~ 2 ~ ~ = J 42sX42pxd~ = 5ao/(2/3z') ...
... Struct., 8 (1971) 1. 21 GW Chantry, HM Evans, JW Fleming and HA Gebbie, Infrared Phys., 9 (19... more ... Struct., 8 (1971) 1. 21 GW Chantry, HM Evans, JW Fleming and HA Gebbie, Infrared Phys., 9 (1969) 31. 22 A. Medina and J. Morcillo, Aim. Fis., 64 (1968) 251. ... Full Text via CrossRef. 2. L. Nemes, H. Ratajczak and WJ Orville-Thomas Speclrochim Acta 22 (1966), p. 156. ...
Anti-Stokes—Stokes intensity ratio and intensity correction of FT-Raman spectra
A relationship between sample temperature and the intensity ratio of anti-Stokes and Stokes Raman... more A relationship between sample temperature and the intensity ratio of anti-Stokes and Stokes Raman scattering intensity has been used to calculate sample temperatures observable during FT-Raman measurements. The results obtained depend strongly on the intensity calibration of the single-beam instrument. When the reference spectrum for intensity calibration is produced by a white light source, the temperature of this source has a significant effect on the accuracy of calibration. Using a relationship between sample temperature and white light source temperature, more accurate intensity calibration is possible.
In this work the authors deal with the vibrational spectroscopy of the two diazole parent compoun... more In this work the authors deal with the vibrational spectroscopy of the two diazole parent compounds, i.e. that of imidazole and pyrazole and their N-deuterated derivatives. Infrared spectra of these compounds were recorded in solid state, Raman spectra were measured in condensed phase using both parallel and perpendicular polarization of fight. The vibrational fundamental frequencies were calculated applying the density functional theory with the Becke3P86 functional and the 6-311G(d,p) basis set.
An alternative calculation of the vibrational potential energy distribution
Journal of Molecular Structure, 1971
Comparison of ab initio, CNDO/2 and experimental dipole moment derivatives for C2 hydrocarbons and formaldehyde
Journal of Molecular Structure, 1975
ABSTRACT
ChemInform Abstract: INFRARED INTENSITIES OF PREGNA-1,4-DIENE-3,20-DIONE DERIVATIVES
Chemischer Informationsdienst, 1983
Spectroscopic structure investigations on heterocyclic compounds
Acta Physica Academiae Scientiarum Hungaricae, 1974
Several structure-spectrum correlations has been established on nitrogen containing six membered ... more Several structure-spectrum correlations has been established on nitrogen containing six membered aromatic heterocyclic compounds. 1. Some characteristic differences between vibrational skeletal frequencies were correlated with the product of two internal coordinates. 2. The normal coordinate analysis of pyridine and pyrazine N-oxides was elaborated based on the isoelectronicity with the corresponding fluorobenzenes. 3. The normal coordinate analysis of more complex heterocyclic
Spectrochimica Acta Part A: Molecular Spectroscopy, 1992
Nine amino acids, four dipeptides, one tripeptide and several types of proteins were studied by r... more Nine amino acids, four dipeptides, one tripeptide and several types of proteins were studied by reflectance and absorption FT-IR spectroscopy. Mid-IR and, where necessary, Raman frequencies were applied to assign the combination and overtone bands occurring in the near-IR region. On one occasion, an isotope effect (deuterization) was also employed for the recognition of the combinations involving -N+H, vibrations. The overtone and combination bands of -N+H3, -CH,, -CH T, -NH, and amide groups were, in part, assigned. On the basis of this assignment and with the use of second derivative and/or Fourier deconvolved spectra, attempts were made to recognize the characteristic features of glutamine and asparagine components of some proteins. The IR spectra were taken on an FT-IR spectrometer with a configuration allowing spectra to be measured in the 10,OW to 400 cm-' range.
Hydrogen bonding in .alpha.-phenylethyl hydroperoxide
The Journal of Physical Chemistry, 1984
ATP induces a conformational change of the 90-kDa heat shock protein (hsp90)
The Journal of biological chemistry, Jan 25, 1993
The 90-kDa heat shock protein (hsp90) is a well conserved, abundant cytosolic protein believed to... more The 90-kDa heat shock protein (hsp90) is a well conserved, abundant cytosolic protein believed to be a "chaperone" of most steroid receptors. We have recently demonstrated that hsp90 has an ATP-binding site and autophosphorylating activity (Csermely, P., and Kahn, C. R. (1991) J. Biol. Chem. 266, 4943-4950). Circular dichroism analysis of highly purified hsp90 from rat liver shows that ATP induces an increase of beta-pleated sheet content of hsp90. Vanadate, molybdate, and heat treatment at 56 degrees C induce a similar change in the circular dichroism spectrum. Fourier transformed infrared spectroscopy reveals an ATP-induced increase in the interchain interactions of the 90-kDa heat shock protein due to an increase in its beta-pleated sheet content. In further studies we found that ATP: 1) decreases the tryptophan fluorescence of hsp90 by 11.6 +/- 1.9%; 2) increases the hydrophobic character of the protein as determined by its distribution between an aqueous phase and phe...
Porous Silicon Formation by Stain Etching
Handbook of Porous Silicon, 2014
ABSTRACT Spontaneous electroless etching of silicon surfaces with hydrofluoric acid and chemical ... more ABSTRACT Spontaneous electroless etching of silicon surfaces with hydrofluoric acid and chemical oxidant-based solutions is often referred to as “stain etching” due to the color change it imparts. The field is comprehensively reviewed with regard to the etching mechanisms and the range of chemical oxidants explored to date.
<title>Use Of A GC/IR System As A Variable Temperature Gas Cell</title>
7th Intl Conf on Fourier Transform Spectroscopy, 1989
Uploads
Papers by G. Jalsovszky