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Related Concept Videos

Constitutional Isomers of Alkanes02:18

Constitutional Isomers of Alkanes

Organic compounds of the same molecular formula can have different structural formulas called constitutional isomers, and the phenomenon is known as constitutional isomerism. Alkanes with four or more carbons showing multiple structures with the same molecular formula thereby exhibit constitutional isomerism.
The linear isomer of an alkane is prefixed by the term “n”; hence a linear isomer of pentane is known as n-pentane. Based on the type of branching, some of the branched isomers are given...
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Aromatic Hydrocarbon Anions: Structural Overview

Neutral hydrocarbons like cyclopentadiene with an odd number of carbon atoms and one intervening CH2 group in the ring are not aromatic. Cyclopentadiene with 4 π electrons does not satisfy the 4n + 2 π electron rule. Additionally, the intervening CH2 group is sp3 hybridized and lacks a vacant p orbital, thereby interrupting the overlap of p orbitals in a continuous manner and preventing the delocalization of π electrons throughout the ring.
Due to the absence of continuous overlap of p...
UV–Vis Spectroscopy: Woodward–Fieser Rules01:29

UV–Vis Spectroscopy: Woodward–Fieser Rules

UV–Visible absorption spectra of conjugated dienes arise from the lowest energy π → π* transitions. The light-absorbing part of the molecule is called the chromophore, and the substituents directly attached to the chromophore are called auxochromes. A strong correlation exists between the absorption maxima, λmax, and the structure of a conjugated π system. The Woodward–Fieser rules predict the value of λmax for a given structure by adding the contributions...
Overview of Advanced Functional Groups02:22

Overview of Advanced Functional Groups


Functional groups are groups of atoms with specific chemical properties that occur within organic molecules and are sometimes denoted as “R”. Functional groups can “functionalize” a compound by enabling it to adopt different physical and chemical properties.
Types of Advanced Functional Groups
The table below summarizes some of the major functional groups in organic chemistry.
Oligosaccharide Assembly01:24

Oligosaccharide Assembly

Protein glycosylation starts in the ER lumen and continues in the Golgi apparatus. Glycosyltransferases catalyze the addition of sugar molecules or glycosylation of proteins. Usually, these enzymes add sugars to the hydroxyl groups of selected serine or threonine residues to form O-linked glycans or the amino groups of asparagine residues to form N-linked glycans. Different positions on the same polypeptide chain can contain differently linked glycans.
Multiple sugar molecules that may or may...
Aromatic Compounds: Overview01:25

Aromatic Compounds: Overview

In general, the term ‘aromatic’ indicates a pleasant smell or fragrance from fresh flowers, freshly prepared coffee, etc. In the early history of organic chemistry, many benzene derivatives were isolated from the pleasant odor oils of the plants. For example, vanillin was isolated from the oil of vanilla, methyl salicylate from the oil of wintergreen, and cinnamaldehyde from the oil of cinnamon. They all had a pleasant odor; hence the name aromatic was given.
In 1825, Faraday isolated benzene...

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Fractionation of Lignocellulosic Biomass using the OrganoCat Process
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Published on: June 5, 2021

α-Oligofurans: a computational study.

Sagar Sharma1, Michael Bendikov

  • 1Department of Organic Chemistry, Weizmann Institute of Science, Rehovot 76100 (Israel), Fax: (+972) 8-934-4142. sagar.sharma@weizmann.ac.il.

Chemistry (Weinheim an Der Bergstrasse, Germany)
|August 14, 2013
PubMed
Summary
This summary is machine-generated.

Alpha-oligofurans show promise in organic electronics, offering advantages over alpha-oligothiophenes. Computational studies reveal oligofurans are more rigid and easier to dope, but accommodate less positive charge.

Keywords:
density functional calculationsdopingoligofuransoligothiophenespi-conjugated materials

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Area of Science:

  • Organic electronics
  • Materials science
  • Computational chemistry

Background:

  • Alpha-oligofurans are emerging organic electronic materials.
  • They present potential advantages over alpha-oligothiophenes.

Purpose of the Study:

  • To computationally study alpha-oligofurans.
  • To systematically compare their properties with alpha-oligothiophenes.

Main Methods:

  • Computational analysis of alpha-oligofurans and alpha-oligothiophenes.
  • Twisting studies to assess molecular rigidity.
  • Comparison of electronic structures, orbital energies, and charge accommodation.

Main Results:

  • Oligofurans exhibit greater rigidity in ground and excited states compared to oligothiophenes.
  • Neutral oligofurans possess higher frontier orbital energies and HOMO-LUMO gaps.
  • Oligofurans have lower ionization potentials, suggesting easier doping.
  • Oligofuran dications display polaron-pair character and limited charge accommodation.

Conclusions:

  • Alpha-oligofurans present distinct properties compared to alpha-oligothiophenes.
  • Their rigidity and doping characteristics make them attractive for organic electronics.
  • Further research into polyfuran and charge transport mechanisms is warranted.