Search results for "Polar"
showing 10 items of 3817 documents
Predominance of resonance over polar effects on1H,13C and15N NMR substituent chemical shifts inN-arylglycines
1998
Comparison of Inorganic Chlorine in the Southern Hemispheric lowermost stratosphere during Late Winter 2019
2021
Inorganic chlorine (Cly) is the sum of the degradation products of long-lived chlorinated source gases. These include the reservoir species (HCl and ClONO2) and active chlorine species (i.e. ClOx). The active chlorine species drive catalytic cycles that deplete ozone in the polar winter stratosphere. This work presents calculations of inorganic chlorine (Cly) derived from chlorinated source gas measurements on board the High Altitude and Long Range Research Aircraft (HALO) during the Southern hemisphere Transport, Dynamic and Chemistry (SouthTRAC) campaign in late winter and early spring 2019. Results are compared to Cly of the Northern Hemisphere derived from measurements of the POLSTRACC-…
ChemInform Abstract: Diaryldistyrylpyrazines: Solvatochromic and Acidochromic Fluorophores.
2014
Diaryldimethylpyrazines are the starting materials for the synthesis of C2-symmetric donor- or acceptor-substituted distyrylpyrazines. The optical properties of these cruciform-shaped dyes are dominated by the distyrylpyrazine units; the photophysics is controlled by the styryl substitution, the diaryl substituents on the central pyrazine only having a small effect. Protonation occurs on the pyrazine and/or lateral amines or azines, thereby altering the absorption and emission properties. Hypso- and bathochromism as well as fluorescence quenching depend on the nature of the terminal substituent. This, and a significant positive solvatochromism of the fluorescence, allow optical sensing of t…
Reaction Mechanism of an Intramolecular Oxime Transfer Reaction: A Computational Study
2014
Density functional theory (PBE0/def2-TZVPP) calculations in conjunction with a polarizable continuum model were used to assess the mechanism of the intramolecular oxime transfer reaction that leads to the formation of isoxazolines. Different diastereomers of the intermediates as well as different oximes (formaldehyde and acetone oxime) were considered. The computed reaction profile predicts the water-addition and -expulsion steps as the highest barriers along the pathway, a conclusion that is in line with the experimental evidence obtained previously for these reactions.
ChemInform Abstract: Observation of New Oscillatory Phenomena During the Electrochemical Anodization of Silicon.
2010
This paper reports the observation of large undamped voltage oscillations during the anodic polarization of silicon in electrol yte containing a combination of acids. One of them stimulates oxide growth and the other its chemical dissolution (in the present c ase, (0.01-0.1 M H3PO4) + (0.001- 0.01 M HF). This temporal patterning of the anodization process is shown to be due to the formation of a thin (50-90 nm) oxide layer at the sample surface and its subsequent lifting-off. The mechanism of oxide detachment i s thought to be an isotropic growth of micropores at the oxide/silicon interface triggered on by changes of electrochemical condi tions there.
Theoretical Study of the 1,3-Dipolar Cycloaddition Reactions of Azomethine Ylides. A DFT Study of Reaction between Trifluoromethyl Thiomethyl Azometh…
1999
The molecular mechanism for the 1,3-dipolar cycloaddition of trifluoromethyl thiomethyl azomethine ylide with acronitrile has been characterized using density functional theory methods with the B3L...
Revision of Na 2 A1Σ+u state molecular constants by polarization labeling spectroscopy
1997
ABSTRACT. This paper contains the analysis of the A1 of Na2 based on the data obtained from thepolarization labeling spectroscopy experiment on the A' —X' transition. A set of Dunham coefficients is derived, which describes the A state in the wide range of v and J 126) quantum numbers and reproduces the positions of unperturbed rotational lines in the A-X band system towithinO.1 cm'.1. INTRODUCTION.We report' new analysis of the A' state based on the data obtained from polarization labelingspectroscopy (PLS) experiment"2, based on V-type optical—optical double resonance scheme, on the 1 : ' ; band system of sodium dimer. The diatomic alkali molecules, with their simple electronic configurat…
Infrared bandshapes of intramolecularly H-bonded systems, 2,4,6-tribromophenol
1983
Abstract A detailed quantitative analysis of the IR bandshape of the ν S (OH) vibration of 2,4,6-tribromophenol in a series of solvents of varying polarity is presented. A distinct dependence of band parameters on solvent polarity has been found. Various contributions to the bandshape are discussed.