Temperature drift of conformational equilibria of butyl alcohols studied by near-infrared spectroscopy and fully anharmonic DFT
Conformational isomerism of aliphatic alcohols with respect to the internal rotation of C–O
(H) group and its impact on near-infrared (NIR) spectra has been known in the literature …
(H) group and its impact on near-infrared (NIR) spectra has been known in the literature …
On the titanium oxide neutral cluster distribution in the gas phase: detection through 118 nm single-photon and 193 nm multiphoton ionization
Y Matsuda, ER Bernstein - The Journal of Physical Chemistry A, 2005 - ACS Publications
Titanium oxide clusters are generated in a supersonic expansion by laser ablation of the
metal and reaction with oxygen (0.1− 6%) in He expansion gas. Mass spectra of the titanium …
metal and reaction with oxygen (0.1− 6%) in He expansion gas. Mass spectra of the titanium …
Hydrogen bond dynamics in alcohol clusters
MA Suhm - Advances in chemical physics, 2009 - Wiley Online Library
C. Cooperativity D. Hydrogen Bond Isomerism and Conformational Isomerism E. OÀÀH
Stretching Dynamics F. Isotope and Overtone Effects G. CÀÀO and CÀÀH Stretching …
Stretching Dynamics F. Isotope and Overtone Effects G. CÀÀO and CÀÀH Stretching …
An overview of organic molecule soft ionization using vacuum ultraviolet laser radiation
Dans cette courte revue, on examine l'utilité d'une ionisation par un photon unique dans
l'ultraviolet lointain cohérent combinée avec un spectromètre de masse à temps d'envol (SM …
l'ultraviolet lointain cohérent combinée avec un spectromètre de masse à temps d'envol (SM …
Hydrogen bonding in supercritical tert-butanol assessed by vibrational spectroscopies and molecular-dynamics simulations
We have investigated the state of aggregation in supercritical tert-butanol (T= 523 K, 0.05<
ρ< 0.4 g cm− 3) by means of vibrational spectroscopies (infrared and Raman) and molecular …
ρ< 0.4 g cm− 3) by means of vibrational spectroscopies (infrared and Raman) and molecular …
Mesoscopic clustering in butanol isomers
J Jadżyn, J Świergiel - Journal of Molecular Liquids, 2020 - Elsevier
The paper presents the results of studies on a mesoscopic self-assembling occurring in
liquid state of hydrogen-bonded n-, sec-, and tert-butanols. In the first part of the paper it was …
liquid state of hydrogen-bonded n-, sec-, and tert-butanols. In the first part of the paper it was …
Rotational isomerism of butanols: infrared, near-infrared and DFT study
MA Czarnecki, D Wojtków, K Haufa - Chemical physics letters, 2006 - Elsevier
Infrared and near-infrared spectra of all butanols were recorded in dilute CCl4 solutions as a
function of temperature. The stability of the trans and gauche conformers was evaluated from …
function of temperature. The stability of the trans and gauche conformers was evaluated from …
Spectroscopic and thermodynamic studies of liquid n-butanol+ n-hexane and+ cyclohexane mixtures based on quantum mechanical ab initio calculations of n-butanol …
D Wandschneider, M Michalik, A Heintz - Journal of molecular liquids, 2006 - Elsevier
Infrared OH stretching spectra of n-butanol in n-hexane mixtures have been measured at
three temperatures as a function of mixture composition up to a mole fraction 0.3 of n …
three temperatures as a function of mixture composition up to a mole fraction 0.3 of n …
Efficient yet accurate approximations for ab initio calculations of alcohol cluster thermochemistry
M Umer, WA Kopp, K Leonhard - The Journal of Chemical Physics, 2015 - pubs.aip.org
We have calculated the binding enthalpies and entropies of gas phase alcohol clusters from
ethanol to 1-decanol. In addition to the monomers, we have investigated dimers, tetramers …
ethanol to 1-decanol. In addition to the monomers, we have investigated dimers, tetramers …
Effect of Temperature and Concentration on the Structure of sec-Butyl Alcohol and Isobutyl Alcohol/Water Mixtures: Near-Infrared Spectroscopic Study
D Wojtków, MA Czarnecki - The Journal of Physical Chemistry A, 2006 - ACS Publications
The effect of temperature and concentration on the structure of sec-butyl alcohol and isobutyl
alcohol/water binary mixtures in the alcohol-rich region (mole fraction of water X H2O< 0.3) …
alcohol/water binary mixtures in the alcohol-rich region (mole fraction of water X H2O< 0.3) …