Journal ArticleDOI
Etude par spectroscopie infrarouge des vibrations ν(CH) de composés cycliques: Dioxanne-1,4, dithianne-1,4, oxathianne-1,4 et cyclohexane
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In this paper, the spectral properties of 1,4-dioxan and cyclopentanones have been analyzed in the 2800-3100 cm −1 range.About:
This article is published in Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy.The article was published on 1980-01-01. It has received 23 citations till now.read more
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Molecular Studies of Catalytic Reactions on Crystal Surfaces at High Pressures and High Temperatures by Infrared−Visible Sum Frequency Generation (SFG) Surface Vibrational Spectroscopy
TL;DR: Infrared−visible sum frequency generation (SFG) is a surface-specific vibrational spectroscopy that can operate in a pressure range from ultrahigh vacuum (uhv) to atmospheric pressures.
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From Molecular Vibrations to Bonding, Chemical Reactions, and Reaction Mechanism
TL;DR: In this article, a unified approach to the study of reaction mechanism is discussed that is based extensively on the analysis of vibrational modes and that is aimed at detailed understanding of chemical reactions with the goal of controlling them.
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Isolated C–H stretching vibrations of n‐alkanes: Assignments and relation to structure
Robert G. Snyder,A. L. Aljibury,Herbert L. Strauss,Hector L. Casal,Kathleen M. Gough,W. F. Murphy +5 more
TL;DR: In this article, the conformational/configurational dependence of the frequencies of the deuterium-isolated C-H stretching modes of the gas-phase alkanes C1, C2, n−C3, n‐C4(t and g), n•C5(tt and gt), cyclo−C6, iso−C4, and neo−C5 are reported.
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Relating normal vibrational modes to local vibrational modes with the help of an adiabatic connection scheme.
TL;DR: Using the compliance constants matrix, the local mode frequencies of any molecule can be converted into its normal mode frequencies with the help of an adiabatic connection scheme that defines the coupling of the local Modes in terms of coupling frequencies and reveals how avoided crossings between the local modes lead to changes in the character of the normal modes.
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CH bond length variations due to the intramolecular environment: a comparison of the results obtained by the method of isolated CH stretching frequencies and by ab initio gradient calculations
TL;DR: In this paper, two approaches, one experimental and the other theoretical, to the elucidation of CH bond length variation due to the intramolecular environment are compared, one based on the concept of isolated CH stretching frequencies while the other involves the ab initio gradient procedure.
References
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Individual CH bond strengths in simple organic compounds: effects of conformation and substitution
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Electron Diffraction Investigation of Molecules Containing a Cyclohexane Type Six-membered Ring.
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Submillimetre- and millimetre-wave absorptions of some polar and non-polar liquids measured by fourier transform spectroscopy
TL;DR: In this article, the Fourier transform spectrometer has been used for the study of broad absorptions such as occur in liquids below 100 cm-1. But the results for water, aniline, 1,4-dioxan, cyclohexane, decahydronaphthalene, dimethyl acetylene (2-butyne) and 1-octyne are reported and considered in relation to earlier microwave dielectric data and far infra-red measurements.
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An electron diffraction study of the 1,4-thioxane molecular geometry
TL;DR: In this paper, the 1,4-thioxane ring geometry was obtained by means of a gas electron diffraction study and the following parameters were obtained: S-C 1.826 ± 0.004 A, C-S-C 97.1 ± 2.0°, CC-S 111.4 ± 1.7° and C-O-C 115.1± 2.2°.