Zobrazeno 1 - 10
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pro vyhledávání: '"Werner A. P. Luck"'
Autor:
Werner A. P. Luck
Publikováno v:
Journal of Molecular Structure. 448:131-142
The cooperativity of H-bonds is a fundamental property in liquid water and alcohols. H-bond energies are in liquid water about 250% stronger compared with H-bonds of H2O monomers in solutions. Different spectroscopic techniques fundamental bands, ove
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::714d9fc66a7527dfa5c117373d26199a
https://doi.org/10.1016/s0022-2860(98)00343-3
https://doi.org/10.1016/s0022-2860(98)00343-3
Publikováno v:
Journal of Molecular Structure. 416:287-296
This paper presents the results concerning anti-cooperativity effects between two H-bonds of a water molecule. The IR OH stretching band shifts Δν—as a measure of the H-bond energy—are compared for HOD with different bases B of 1:1 complexes B
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1888bc3b185b057cbc9e81d749acc431
https://doi.org/10.1016/s0022-2860(97)00055-0
https://doi.org/10.1016/s0022-2860(97)00055-0
Autor:
Dietmar Klein, Werner A. P. Luck
Publikováno v:
Journal of Molecular Structure. 381:83-94
The solvent influence on the strength of H-bonds, observed by the shift Δν of the OH or NH stretching band, can be described by a solvent parameter LFMj for every solvent j: Δν(B, solventj) = LMFj Δv(B, vapor). This parameter is independent of t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c1b5e9fe1bcaaf576c815373acbdf1d5
https://doi.org/10.1016/0022-2860(96)09316-7
https://doi.org/10.1016/0022-2860(96)09316-7
Autor:
Werner A. P. Luck, L. England-Kretzer
Publikováno v:
Journal of Molecular Structure. 348:373-376
A band analysis of the IR spectra of CH3OH and CH3OD in 1,4-dioxane and tetrahydrofurane in the first overtone region was performed in order to resolve the overlapping subbands. The results show a splitting of the OH and OD stretching vibrations into
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::176881fcfb9adcaeeb3570b8047e642c
https://doi.org/10.1016/0022-2860(95)08666-j
https://doi.org/10.1016/0022-2860(95)08666-j
Autor:
M. Fritzsche, Werner A. P. Luck
Publikováno v:
Journal of Molecular Structure. 295:47-51
We have observed simultaneous absorptions in H-bonded liquid methanol. They point to two different H-bonded OH groups and their temperature dependent equilibrium. Their intensities depend on the H-bond orientation.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::89365e7de817df6322853bfa2fa31f7e
https://doi.org/10.1016/0022-2860(93)85006-g
https://doi.org/10.1016/0022-2860(93)85006-g
Autor:
Thomas Wess, Werner A. P. Luck
Publikováno v:
Canadian Journal of Chemistry. 69:1819-1826
The OH potentials of the complexes [Formula: see text] are calculated by an ab initio MO-LCAO-SCF-CISD method with a 6-31G** basis set for 30 different [Formula: see text] distances. The resulting OH vibration levels are calculated by the so-called s
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::bf0f045758559d9b1e8e771e8af85169
https://doi.org/10.1139/v91-266
https://doi.org/10.1139/v91-266
Autor:
Werner A. P. Luck, T. Wess
Publikováno v:
Chemical Physics Letters. 179:303-310
The nearly linear temperature-density ( T-p ) dependence of crystalline rare gases is described by an idealized model. The semiclassical Planck-Sommerfeld method applied to the sum of Lennard-Jones interactions indicates at low T an increase of the s
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::53d6f78a223800cc7df0841095ed32b8
https://doi.org/10.1016/0009-2614(91)87042-a
https://doi.org/10.1016/0009-2614(91)87042-a
Publikováno v:
Journal of Molecular Structure. 237:233-247
In ternary systems of H-bonded complexes of perfluoro-tert.-butanol (PFTB) with propionitrile, acetone, dioxane or tetrahydrofuran dissolved in polychlorotrifluoroethene (PCFE), increase of pressure induces (1) an increase of the OH frequency shift 1
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ebef61cdcac8fd5a59f65786fcf4788f
https://doi.org/10.1016/0022-2860(90)80142-7
https://doi.org/10.1016/0022-2860(90)80142-7
Publikováno v:
Journal of Molecular Structure. 224:185-202
The intermolecular effects on the OH stretching mode of perfluoro-t-butanol/acetonitrile (PFTB/AN) complexes have been studied in the vapour phase, different low temperature matrices, liquid and different solvents and are compared with effects on PFT
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7dfecd050ff8ad788cc92d48f8dae81a
https://doi.org/10.1016/0022-2860(90)87016-q
https://doi.org/10.1016/0022-2860(90)87016-q
Autor:
Werner A. P. Luck, Stefan Peil
Publikováno v:
Journal of Molecular Structure. 224:175-184
The frequency shift Δν of the perfluoro-t-butyl alcohol (PFTB) OH stretching in low temperature rare gas matrices has been studied. Δν depends on the square root of the critical temperature of the rare gases ( T C2 ) 1 2 . Other matrix results fo
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::82e065d11f0c39f2a0ceed4576aa0fcd
https://doi.org/10.1016/0022-2860(90)87015-p
https://doi.org/10.1016/0022-2860(90)87015-p