Journal ArticleDOI
Microwave studies of three alkylbenzenes: Ethyl, n-propyl, and n-butylbenzene
TLDR
The rotational spectra of ethyl, n-propyl, and n-butylbenzene have been observed and analyzed using a high-resolution Fourier transform microwave spectrometer as discussed by the authors.Abstract:
The rotational spectra of ethyl, n-propyl, and n-butylbenzene have been observed and analyzed using a high-resolution Fourier transform microwave spectrometer. Only one stable conformation was found for ethylbenzene, in agreement with previous results from Caminati et al. [Mol. Phys. 74, 885 (1991)]. The high sensitivity of the technique allows observation of the rotational spectra of the six 13C isotopes of ethylbenzene in natural abundance. The structural analysis indicates that the dihedral angle between the ethyl group and the ring plane is 88.7°±0.9°. Two conformers have been found for n-propylbenzene as predicted by ab initio calculations while four of the five theoretically predicted conformers [Dickinson et al., J. Chem. Soc., Faraday Trans. 93, 1467 (1997)] have been found for n-butylbenzene.read more
Citations
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The CH/π hydrogen bond in chemistry. Conformation, supramolecules, optical resolution and interactions involving carbohydrates
TL;DR: The dual characteristic of the CH/π hydrogen bond is the basis for ubiquitous existence of this force in various fields of chemistry and extends to the specificity of molecular recognition or selectivity in organic reactions, polymer science, surface phenomena and interactions involving proteins.
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Relevance of Weak Hydrogen Bonds in the Conformation of Organic Compounds and Bioconjugates: Evidence from Recent Experimental Data and High-Level ab Initio MO Calculations
TL;DR: It is shown that the gauche or folded conformation prevails in organic compounds bearing at least an electronegative or π-group in the molecule and finds its origin, in most cases, in nonconventional hydrogen bonds.
Journal ArticleDOI
Environmental remediation by an integrated microwave/ UV-illumination method. 1. Microwave-assisted degradation of rhodamine-B dye in aqueous TiO2 dispersions.
TL;DR: The photocatalytic decomposition of the cationic rhodamine-B (RhB) dye was examined in aqueous TiO2 dispersions using an integrated microwave/UV-illumination (PD/MW) method, which proved to be superior in the degradation of the dye than theTiO2 photocatallytic degradative method alone.
Journal ArticleDOI
Laser Probes of Conformational Isomerization in Flexible Molecules and Complexes
TL;DR: A general experimental protocol is described that is capable of studying conformational isomerization in such circumstances, measuring the product quantum yields following conformation-specific infrared excitation, and measuring energy thresholds for isomership of specific X --> Y reactant-product isomer pairs following excitation via stimulated emission pumping (SEP).
Journal ArticleDOI
Investigation on microwave absorbing properties of loaded MnFe2O4 and degradation of Reactive Brilliant Red X-3B
TL;DR: In this article, four nanocomposite catalysts, namely MnFe2O4, MnFeO4-SiC and MnFe4-Diatomite, were synthesized and characterized by X-ray diffraction and N2 adsorption.
References
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TL;DR: In this article, a method for determining the position of an atom in a molecule from spectroscopic measurements on two isotopic species of the molecule is described, and explicit expressions are derived for linear, symmetric top, planar, and nonplanar asymmetric top molecules.
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Relaxation of conformers and isomers in seeded supersonic jets of inert gases
TL;DR: In this article, the authors studied the relaxation of conformers and the formation/relaxation of isomeric, weakly bonded dimers in pulsed supersonic expansions of seeded inert gases (He, Ne, Ar, Kr).
Book
Vibrational spectra and structure : a series of advances
TL;DR: In this article, Boudreaux et al. compared and analyzed the properties of isolated pyrimidine bases and measured the effect of various parameters on their properties, such as vibrational line profiles and frequency shifts.
Journal ArticleDOI
A portable, pulsed-molecular-beam, Fourier-transform microwave spectrometer designed for chemical analysis
TL;DR: In this paper, the authors presented a miniaturized version of the Fourier transform microwave (FTMW) spectrometer for analytical chemists, which was mounted on a mobile cart.
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Vibrational relaxation in jet‐cooled alkyl benzenes. II. Fluorescence spectra
TL;DR: In this paper, a series of laser-excited n−alkylbenzenes cooled in a supersonic free jet have been obtained under effectively collision-free conditions.