Jove
Visualize
Contact Us

Related Concept Videos

Crystal Field Theory - Octahedral Complexes02:58

Crystal Field Theory - Octahedral Complexes

30.1K
Crystal Field Theory
To explain the observed behavior of transition metal complexes (such as colors), a model involving electrostatic interactions between the electrons from the ligands and the electrons in the unhybridized d orbitals of the central metal atom has been developed. This electrostatic model is crystal field theory (CFT). It helps to understand, interpret, and predict the colors, magnetic behavior, and some structures of coordination compounds of transition metals.
CFT focuses on...
30.1K
Trends in Lattice Energy: Ion Size and Charge02:54

Trends in Lattice Energy: Ion Size and Charge

26.3K
An ionic compound is stable because of the electrostatic attraction between its positive and negative ions. The lattice energy of a compound is a measure of the strength of this attraction. The lattice energy (ΔHlattice) of an ionic compound is defined as the energy required to separate one mole of the solid into its component gaseous ions. For the ionic solid sodium chloride, the lattice energy is the enthalpy change of the process:
26.3K
Crystal Field Theory - Tetrahedral and Square Planar Complexes02:46

Crystal Field Theory - Tetrahedral and Square Planar Complexes

47.4K
Tetrahedral Complexes
Crystal field theory (CFT) is applicable to molecules in geometries other than octahedral. In octahedral complexes, the lobes of the dx2−y2 and dz2 orbitals point directly at the ligands. For tetrahedral complexes, the d orbitals remain in place, but with only four ligands located between the axes. None of the orbitals points directly at the tetrahedral ligands. However, the dx2−y2 and dz2 orbitals (along the Cartesian axes) overlap with the ligands less than the dxy,...
47.4K
The Born-Haber Cycle02:44

The Born-Haber Cycle

24.8K
Lattice Energy 
24.8K
The Eukaryotic Promoter Region02:40

The Eukaryotic Promoter Region

18.4K
The eukaryotic promoter region is a segment of DNA located upstream of a gene. It contains an RNA polymerase binding site, a transcription start site, and several cis-regulatory sequences.  The proximal promoter region is located in the vicinity of the gene and has cis-regulatory sequences and the core promoter. The core promoter is the binding site for RNA polymerase and is usually located between -35 and +35 nucleotides from the transcription start site. The distal promoter regions are...
18.4K
Cooperative Binding of Transcription Regulators02:13

Cooperative Binding of Transcription Regulators

7.0K
Transcriptional regulators bind to specific cis-regulatory sequences in the DNA to regulate gene transcription. These cis-regulatory sequences are very short, usually less than ten nucleotide pairs in length. The short length means that there is a high probability of the exact same sequence randomly occurring throughout the genome.  Since regulators can also bind to groups of similar sequences, this further increases the chances of random binding. Transcriptional regulators form...
7.0K

You might also read

Related Articles

Articles linked to this work by shared authors, journal, and citation graph.

Sort by
Same author

Gas Hydrate Dynamics with Parameter-Free Clathrate Phase Description: Validation for Hydrate Formation and Dissociation.

The journal of physical chemistry. A·2024
Same author

A thermodynamic framework to identify apposite refrigerant former for hydrate-based applications.

Scientific reports·2022
Same author

Microsecond molecular dynamics of methane-carbon dioxide swapping in pure and saline water environment.

Scientific reports·2022
Same author

Microscopic Molecular Insights into Hydrate Formation and Growth in Pure and Saline Water Environments.

The journal of physical chemistry. A·2020
Same author

Nonmonotonous Lattice Distortion Model for Gas Hydrates.

The journal of physical chemistry. A·2020
Same author

Modeling recovery of natural gas from hydrate reservoirs with carbon dioxide sequestration: Validation with Iġnik Sikumi field data.

Scientific reports·2019
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Related Experiment Video

Updated: Dec 18, 2025

A Microfluidic Approach for the Study of Ice and Clathrate Hydrate Crystallization
08:01

A Microfluidic Approach for the Study of Ice and Clathrate Hydrate Crystallization

Published on: August 18, 2022

3.4K

A Lattice Distortion Theory for Promotor Containing Clathrate Hydrates.

Niraj Thakre1, Amiya K Jana2

  • 1Energy and Process Engineering Laboratory, Department of Chemical Engineering, Indian Institute of Technology, Kharagpur, 721 302, India.

Scientific Reports
|June 17, 2020
PubMed
Summary

This study introduces a lattice distortion theory for clathrate hydrates using quantum mechanics. It quantifies lattice stabilization energy, confirming an exponential relationship with promotor size and validating the theory with eight systems.

More Related Videos

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
12:11

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry

Published on: April 8, 2020

8.6K
Methane Hydrate Crystallization on Sessile Water Droplets
08:46

Methane Hydrate Crystallization on Sessile Water Droplets

Published on: May 26, 2021

2.7K

Related Experiment Videos

Last Updated: Dec 18, 2025

A Microfluidic Approach for the Study of Ice and Clathrate Hydrate Crystallization
08:01

A Microfluidic Approach for the Study of Ice and Clathrate Hydrate Crystallization

Published on: August 18, 2022

3.4K
Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
12:11

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry

Published on: April 8, 2020

8.6K
Methane Hydrate Crystallization on Sessile Water Droplets
08:46

Methane Hydrate Crystallization on Sessile Water Droplets

Published on: May 26, 2021

2.7K

Area of Science:

  • Thermodynamics
  • Quantum Chemistry
  • Materials Science

Background:

  • Clathrate hydrates are crystalline solids trapping guest molecules.
  • Promotors, especially large and polar ones, cause significant lattice distortion.
  • The lattice energy concept for distorted clathrate hydrates remains underexplored.

Purpose of the Study:

  • To formulate a lattice distortion theory for clathrate hydrates containing promotors.
  • To compute cavity potentials and estimate lattice stabilization energy.
  • To validate the theory against experimental phase equilibrium data.

Main Methods:

  • Utilizing the van der Waals and Platteeuw statistical thermodynamics model.
  • Employing ab initio quantum mechanics for cavity potential calculations.
  • Estimating lattice stabilization energy using spin-component scaled second order Møller-Plesset (SCS-MP2) perturbation theory with the aug-cc-pVDZ basis set.

Main Results:

  • Established an exponential relationship between reference chemical potential difference and the van der Waals volume of promotors.
  • Successfully captured higher-order distortions for multiple guests using excess Gibbs free energy theory.
  • Validated the proposed lattice distortion theory against phase equilibrium data for eight promotor-containing clathrate hydrate systems.

Conclusions:

  • The developed lattice distortion theory accurately predicts the behavior of clathrate hydrates with various promotors.
  • The study provides a quantitative method to understand lattice distortion effects in clathrate hydrates.
  • This work advances the understanding of clathrate hydrate phase behavior, crucial for applications in gas storage and separation.