Topic
Hydrocarbon
About: Hydrocarbon is a research topic. Over the lifetime, 27606 publications have been published within this topic receiving 458598 citations.
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TL;DR: Density functional theory calculations explain copper's unique ability to convert CO2 into hydrocarbons, which may open up (photo-)electrochemical routes to fuels as mentioned in this paper, which may lead to new energy sources.
Abstract: Density functional theory calculations explain copper's unique ability to convert CO2 into hydrocarbons, which may open up (photo-)electrochemical routes to fuels.
2,420 citations
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TL;DR: In this paper, the electron density at each carbon atom, of the highest occupied π−orbital in the ground state of the molecule is calculated by means of the LCAO method.
Abstract: In the search for a quantitative correlation between reactivity and electronic configuration of aromatic hydrocarbons, the electron density, at each carbon atom, of the highest occupied π‐orbital in the ground state of the molecule is calculated by means of the LCAO method. Comparing the result of such a calculation on fifteen condensed aromatic hydrocarbons with their chemical reactivities, we find that the position at which the electron density is largest is most readily attacked by electrophilic or oxidizing reagents.It is, therefore, concluded that distinct from other π‐electrons the pair of π‐electrons occupying the highest orbital, which is referred to as frontier electrons, plays a decisive role in chemical activation of these hydrocarbon molecules. The theoretical significance of this discrimination of the frontier electrons in relation to the chemical activation is discussed.
1,791 citations
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10 Dec 1998
TL;DR: In this article, a 10-step approach for interpreting IR spectra is presented. But the authors do not discuss the advantages and disadvantages of using IR spectroscopy in computer vision applications.
Abstract: THE BASICS OF INFRARED INTERPRETATION Advantages and Disadvantages of Infrared Spectroscopy The Properties of Light What Are Infrared Spectra Used For? How Molecules Absorb Infrared Radiation The Origins of Peak Positions, Peak Intensities, and Peak Widths Dealing with Mixtures Performing Identities Infrared Spectral Interpretation: A Systematic 10-Step Approach HYDROCARBONS Straight Chain Alkanes Estimating Hydrocarbon Chain Length Branched Alkanes Alkenes Distinguishing cis and transisomers Alkynes Aromatic Hydrocarbons Distinguishing Mono and Di- Substituted Benzene Rings FUNCTIONAL GROUPS CONTAINING THE C-O BOND Alcohols and Phenols The Affects of Hydrogen Bonding Distinguishing Primary, Secondary, and Tertiary Alcohols Ethers Distinguishing Saturated and Aromatic Ethers Methyl Groups Attached to an Oxygen THE CARBONYL GROUP Ketones Aldehydes Carboxylic Acids and Derivatives Carboxylic Acids Carboxylates (soaps) Acid Anhydrides Esters Distinguishing Saturated and Aromatic Esters Organic Carbonates ORGANIC NITROGEN COMPOUNDS Amides Distinguishing Primary, Secondary, and Tertiary Amides Proteins Imides Amines Distinguishing Primary, Secondary, and Tertiary Amines Nitriles The Nitro Group ORGANIC COMPOUNDS CONTAINING SULFUR, SILICON, AND HALOGENS Organic Sulfur Compounds Thiols Sufloxides, Sulfates, etc. Organic Silicon Compounds Silicones (Siloxanes) Halogenated Organics C-X Stretches INORGANIC COMPOUNDS The Impact of Water on Inorganic Spectra Sulfates Silica and Silicates Carbonates Nitrates Phosphates INFRARED SPECTRA OF POLYMERS Polyethylenes Polypropylene Polystyrene Polyesters Acrylates Isocyanates and Polyurethanes Polycarbonates Polyimides Polytetrafluoroethylene SPECTRAL INTERPRETATION AIDS Atlases Spectral Subtraction Library Searching "Expert" Software Programs The Internet
1,768 citations
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TL;DR: In this paper, the stability of graphane was predicted based on first-principles total energy calculations, which is a fully saturated two-dimensional hydrocarbon derived from a single graphene sheet with formula CH.
Abstract: We predict the stability of an extended two-dimensional hydrocarbon on the basis of first-principles total-energy calculations. The compound that we call graphane is a fully saturated hydrocarbon derived from a single graphene sheet with formula CH. All of the carbon atoms are in $s{p}^{3}$ hybridization forming a hexagonal network and the hydrogen atoms are bonded to carbon on both sides of the plane in an alternating manner. Graphane is predicted to be stable with a binding energy comparable to other hydrocarbons such as benzene, cyclohexane, and polyethylene. We discuss possible routes for synthesizing graphane and potential applications as a hydrogen storage material and in two-dimensional electronics.
1,758 citations
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TL;DR: Liquid alkanes with the number of carbon atoms ranging from C7 to C15 were selectively produced from biomass-derived carbohydrates by acid-catalyzed dehydration, which was followed by aldol condensation over solid base catalysts to form large organic compounds.
Abstract: Liquid alkanes with the number of carbon atoms ranging from C7 to C15 were selectively produced from biomass-derived carbohydrates by acid-catalyzed dehydration, which was followed by aldol condensation over solid base catalysts to form large organic compounds. These molecules were then converted into alkanes by dehydration/hydrogenation over bifunctional catalysts that contained acid and metal sites in a four-phase reactor, in which the aqueous organic reactant becomes more hydrophobic and a hexadecane alkane stream removes hydrophobic species from the catalyst before they go on further to form coke. These liquid alkanes are of the appropriate molecular weight to be used as transportation fuel components, and they contain 90% of the energy of the carbohydrate and H2 feeds.
1,556 citations