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Related Concept Videos

Spin–Spin Coupling: One-Bond Coupling01:17

Spin–Spin Coupling: One-Bond Coupling

Coupling interactions are strongest between NMR-active nuclei bonded to each other, where spin information can be transmitted directly through the pair of bonding electrons. While nuclei polarize their electrons to the opposite spins, the bonding electron pair has opposite spins. Configurations with antiparallel nuclear spins are expected to be lower in energy. When coupling makes antiparallel states more favorable, J is considered to have a positive value. The one-bond coupling constant, 1J,...
Valence Bond Theory02:42

Valence Bond Theory

Coordination compounds and complexes exhibit different colors, geometries, and magnetic behavior, depending on the metal atom/ion and ligands from which they are composed. In an attempt to explain the bonding and structure of coordination complexes, Linus Pauling proposed the valence bond theory, or VBT, using the concepts of hybridization and the overlapping of the atomic orbitals. According to VBT, the central metal atom or ion (Lewis acid) hybridizes to provide empty orbitals of suitable...
Spin–Spin Coupling: Two-Bond Coupling (Geminal Coupling)01:20

Spin–Spin Coupling: Two-Bond Coupling (Geminal Coupling)

Two NMR-active nuclei bonded to a central atom can be involved in geminal or two-bond coupling. Geminal coupling is commonly seen between diastereotopic protons in chiral molecules and unsymmetrical alkenes, among others.
The central atom need not be NMR-active because its electrons are affected by the electron polarization of the spin-active atoms. However, spin information is transmitted less effectively than in one-bond coupling, and 2J values are usually weaker than 1J values. The energy of...
Molecular Geometry and Dipole Moments02:36

Molecular Geometry and Dipole Moments

The VSEPR theory can be used to determine the electron pair geometries and molecular structures as follows:
Spin–Spin Coupling: Three-Bond Coupling (Vicinal Coupling)01:22

Spin–Spin Coupling: Three-Bond Coupling (Vicinal Coupling)

Vicinal or three-bond coupling is commonly observed between protons attached to adjacent carbons. Here, nuclear spin information is primarily transferred via electron spin interactions between adjacent C‑H bond orbitals. This generally favors the antiparallel arrangement of spins, so 3J values are usually positive.
The extent of coupling depends on the C‑C bond length, the two H‑C‑C angles, any electron-withdrawing substituents, and the dihedral angle between the involved orbitals. The...
Spin–Spin Coupling Constant: Overview01:08

Spin–Spin Coupling Constant: Overview

In bromoethane, the three methyl protons are coupled to the two methylene protons that are three bonds away. In accordance with the n+1 rule, the signal from the methyl protons is split into three peaks with 1:2:1 relative intensities. The methylene protons appear as a quartet, with the relative intensities of 1:3:3:1.
Qualitatively, any spin plus-half nucleus polarizes the spins of its electrons to the minus-half state. Consequently, the paired electron in the hydrogen–carbon bond must have a...

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Probing C84-embedded Si Substrate Using Scanning Probe Microscopy and Molecular Dynamics
13:58

Probing C84-embedded Si Substrate Using Scanning Probe Microscopy and Molecular Dynamics

Published on: September 28, 2016

Surface-directed spinodal decomposition: a molecular dynamics study.

Prabhat K Jaiswal1, Sanjay Puri, Subir K Das

  • 1School of Physical Sciences, Jawaharlal Nehru University, New Delhi 110 067, India.

Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics
|September 26, 2012
PubMed
Summary
This summary is machine-generated.

Hydrodynamic effects drive spinodal decomposition in binary fluid mixtures. The wetting layer thickness exponent changes from 1/3 to 1 due to these effects.

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Area of Science:

  • Physical Chemistry
  • Materials Science
  • Fluid Dynamics

Background:

  • Spinodal decomposition is a phase separation process in unstable mixtures.
  • Surface wetting phenomena significantly influence phase separation dynamics.
  • Understanding these processes is crucial for materials design and processing.

Purpose of the Study:

  • To investigate surface-directed spinodal decomposition in binary fluid mixtures.
  • To analyze the growth kinetics of wetting layers.
  • To elucidate the role of hydrodynamic effects on phase separation.

Main Methods:

  • Molecular dynamics simulations were employed.
  • The study focused on unstable binary AB fluid mixtures at wetting surfaces.
  • Analysis included layerwise correlation functions and domain length scales.

Main Results:

  • The wetting layer thickness (R1) follows a power law R1∼tθ.
  • Hydrodynamic effects cause a crossover in the growth exponent from θ≃1/3 to 1.
  • Domain length scales and correlation functions were characterized.

Conclusions:

  • Hydrodynamic interactions are critical in surface-directed spinodal decomposition.
  • The observed crossover in the growth exponent highlights the transition in dominant physical mechanisms.
  • Simulation results provide insights into the complex interplay between surface effects and fluid dynamics during phase separation.