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Related Concept Videos

Carbon Skeletons01:12

Carbon Skeletons

Life on Earth is carbon-based, as all macromolecules that make up living organisms contain carbon atoms. All organic compounds have a carbon backbone. Each carbon atom is tetravalent and can bond with four other atoms, making it an extraordinarily flexible component of biological molecules. Because carbon’s valence electrons are stable, it rarely becomes an ion. As the carbon chain increases in length, structural modifications such as ring structures, double bonds, and branching side chains...
Hydrogen Bonds00:26

Hydrogen Bonds

Hydrogen BondsHydrogen bonds are weak attractions between atoms that have formed other chemical bonds. One of these atoms is electronegative, like oxygen, and has a partial negative charge. The other is a hydrogen atom that has bonded with another electronegative atom and has a partial positive charge.Hydrogen Bonds Control the World!Because hydrogen has very weak electronegativity when it binds with a strongly electronegative atom, such as oxygen or nitrogen, electrons in the bond are...
Hydrogen Bonds01:04

Hydrogen Bonds

A hydrogen bond is formed when a weakly positive hydrogen atom already bonded to one electronegative atom (for example, the oxygen in the water molecule) is attracted to another electronegative atom from another polar molecule, such as water (H2O), hydrogen fluoride (HF), or ammonia (NH3). The huge electronegativity difference between the H atom (2.1) and the atom to which it is bonded (4.0 for an F atom, 3.5 for an O atom, or 3.0 for an N atom), combined with the very small size of an H atom...
Van der Waals Interactions01:24

Van der Waals Interactions

Atoms and molecules interact with each other through intermolecular forces. These electrostatic forces arise from attractive or repulsive interactions between particles with permanent, partial, or temporary charges. The intermolecular forces between neutral atoms and molecules are ion–dipole, dipole–dipole, and dispersion forces, collectively known as van der Waals forces.Polar molecules have a partial positive charge on one end and a partial negative charge on the other end of the molecule,...
¹³C NMR: ¹H–¹³C Decoupling01:04

¹³C NMR: ¹H–¹³C Decoupling

The probability of having two carbon-13 atoms next to each other is negligible because of the low natural abundance of carbon-13. Consequently, peak splitting due to carbon-carbon spin-spin coupling is not observed in spectra. However, protons up to three sigma bonds away split the carbon signal according to the n+1 rule, resulting in complicated spectra.
A broadband decoupling technique is used to simplify these complex, sometimes overlapping, signals. Broadband decoupling relies on a...
Noncovalent Attractions in Biomolecules02:35

Noncovalent Attractions in Biomolecules

Noncovalent attractions are associations within and between molecules that influence the shape and structural stability of complexes. These interactions differ from covalent bonding in that they do not involve sharing of electrons.
Four types of noncovalent interactions are hydrogen bonds, van der Waals forces, ionic bonds, and hydrophobic interactions.
Hydrogen bonding results from the electrostatic attraction of a hydrogen atom covalently bonded to a strong-electronegative atom like oxygen,...

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A Uniaxial Compression Experiment with CO2-Bearing Coal Using a Visualized and Constant-Volume Gas-Solid Coupling Test System
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Carbon...carbon weak interactions.

Ibon Alkorta1, Fernando Blanco, José Elguero

  • 1Instituto de Química Médica, CSIC, Juan de la Cierva, 3, E-28006 Madrid, Spain. ibon@iqm.csic.es

The Journal of Physical Chemistry. A
|July 3, 2009
PubMed
Summary

This study explored weak carbon-carbon interactions in complexes using computational chemistry. Results reveal polarization as the key stabilizing factor in these electron-rich and electron-deficient systems.

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In situ FTIR Spectroscopy as a Tool for Investigation of Gas/Solid Interaction: Water-Enhanced CO2 Adsorption in UiO-66 Metal-Organic Framework

Published on: February 1, 2020

Area of Science:

  • Computational chemistry
  • Quantum chemistry
  • Theoretical chemistry

Background:

  • Understanding non-covalent interactions is crucial in chemistry.
  • Carbon-carbon interactions play a role in molecular assembly and material properties.

Purpose of the Study:

  • To investigate the nature of complexes formed between electron-deficient and electron-excessive carbon systems.
  • To quantify the interaction energies and identify the stabilizing forces in these complexes.

Main Methods:

  • Density Functional Theory (DFT) and ab initio methods.
  • High-level computational level: CCSD(T)/aug-cc-pVTZ.
  • Atoms in Molecules (AIM) analysis, Natural Energy Decomposition Analysis (NEDA), and Electron Localization Function (ELF) analysis.

Main Results:

  • Stable complexes with interaction energies ranging from -6.0 to -22.8 kJ mol(-1) were identified.
  • These energies correspond to weak carbon-carbon (C...C) interactions.
  • AIM analysis confirmed the presence of these C...C interactions.
  • NEDA and ELF analyses indicated that polarization is the dominant stabilizing contribution.

Conclusions:

  • Weak C...C interactions can form stable complexes between electron-deficient and electron-excessive carbon systems.
  • Polarization is the primary driving force behind the stabilization of these complexes.
  • Computational methods provide valuable insights into the nature of these fundamental interactions.