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Related Concept Videos

Organic Compounds03:02

Organic Compounds

All living things are formed mostly of carbon compounds called organic compounds. The category of organic compounds includes both natural and synthetic compounds that contain carbon. Although a single, precise definition has yet to be identified by the chemistry community, most agree that a defining trait of organic molecules is the presence of carbon as the principal element, bonded to hydrogen and other carbon atoms. However, some carbon-containing compounds such as carbonates, cyanides, and...
Structure and Physical Properties of Alkynes02:37

Structure and Physical Properties of Alkynes

Introduction:
In nature, compounds containing both carbon and hydrogen are known as "hydrocarbons". Aliphatic hydrocarbons are compounds whose molecules contain saturated single bonds (i.e., alkanes) or unsaturated double or triple bonds. Alkenes contain carbon–carbon double bonds and have a structural formula CnH2n. Unsaturated hydrocarbons containing carbon–carbon triple bonds are called "alkynes" and are structurally represented by the formula CnH2n-2.
The simplest alkyne is ethyne, or...
Physical Properties of Alkanes02:33

Physical Properties of Alkanes

Alkanes are nonpolar molecules due to the presence of only carbon and hydrogen atoms. The electronegativity difference between carbon and hydrogen is minimal, and hence alkanes have a zero dipole moment. This leads to the presence of only dispersion forces between the molecules. The strength of dispersion forces is dependent on the surface area of the molecules on which they act. Since the surface area increases with the molecular length for straight-chain alkanes, the dispersion forces also...
Structure and Bonding of Alkenes02:47

Structure and Bonding of Alkenes

Olefins, which are unsaturated hydrocarbons containing one or more carbon–carbon double bonds, are broadly divided into alkenes and cycloalkenes. The general chemical formula of an alkene is CnH2n.
Doubly bonded carbons are sp2 hybridized and have a trigonal planar geometry. The double bond is composed of a σ bond formed by the overlap of hybrid orbitals and a π bond produced by the lateral overlap of unhybridized 2p orbitals on both the carbons. Each carbon atom is bonded to two hydrogen atoms...
Acidity of 1-Alkynes02:42

Acidity of 1-Alkynes


The acidic strength of hydrocarbons follows the order: Alkynes > Alkenes > Alkanes. The strength of an acid is commonly expressed in units of pKa — the lower the pKa, the stronger the acid. Among the hydrocarbons, terminal alkynes have lower pKa values and are, therefore, more acidic. For example, the pKa values for ethane, ethene, and acetylene are 51, 44, and 25, respectively, as shown here.
Structure of Alkanes02:23

Structure of Alkanes

The formation of carbon-carbon bonds leading to the creation of the carbon chain is the basis of organic chemistry. August Kekulé and Archibald Scott Couper independently developed this idea of carbon chain formation.
Hydrocarbons are the simplest organic compounds composed of carbons and hydrogens. Based on the bond order between carbons, the hydrocarbons are further classified into alkanes, alkenes, and alkynes. 
Alkanes are the simplest hydrocarbons with sp3 hybrid carbon atoms. These sp3...

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Synthesis and Functionalization of 3D Nano-graphene Materials: Graphene Aerogels and Graphene Macro Assemblies
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Wettability of pristine and alkyl-functionalized graphane.

Davide Vanzo1, Dusan Bratko, Alenka Luzar

  • 1Department of Chemistry, Virginia Commonwealth University, Richmond, Virginia 23284-2006, USA.

The Journal of Chemical Physics
|July 27, 2012
PubMed
Summary

Graphane, a hydrogenated graphene form, shows tunable wettability. Alkyl functionalization precisely controls surface hydrophobicity, reaching 114° with butylated graphane.

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Area of Science:

  • Materials Science
  • Surface Chemistry
  • Computational Modeling

Background:

  • Graphene exhibits unique properties but its direct applications are limited.
  • Graphane, a hydrogenated graphene derivative, offers a tunable bandgap and planar structure.
  • Understanding graphane's surface properties, like wettability, is crucial for its technological applications.

Purpose of the Study:

  • To predict the wetting properties of graphane using atomistic simulations.
  • To investigate the influence of graphane's structure and functionalization on its hydrophobicity.
  • To establish a basis for chemical modifications to tune graphane's surface wettability.

Main Methods:

  • Atomistic simulations were employed to model graphane.
  • Contact angle measurements were simulated to quantify wettability.
  • The effect of alkyl group functionalization on contact angle was systematically studied.

Main Results:

  • Unfunctionalized graphane exhibits a contact angle of 73°, indicating lower hydrophobicity than graphene due to increased carbon atom density.
  • Alkyl functionalization gradually increases the contact angle, reaching a saturation of 114° for butylated graphane.
  • Wettability saturation correlates with the inability of water to penetrate the alkyl layer and reach the graphane lattice.

Conclusions:

  • Graphane's wettability can be precisely controlled through alkyl functionalization.
  • This tunability allows for chemical modifications to adjust hydrophilicity while maintaining graphane's planar structure.
  • The study provides the first quantitative estimates of graphane's wettability, guiding future material design.