Jove
Visualize
Contact Us
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 Concept Videos

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...
Valence Bond Theory02:45

Valence Bond Theory

Overview of Valence Bond Theory
Hückel's Rule Diagram of π MOs: Frost Circle01:08

Hückel's Rule Diagram of π MOs: Frost Circle

The Frost circle or the inscribed polygon method is a graphical method for determining the relative energies of π molecular orbitals (MOs) for planar, fully conjugated, and monocyclic compounds. This method was first described by A. A. Frost and Boris Musulin in 1953.
A Frost circle is constructed by drawing a polygon whose number of edges is equal to the number of carbons of the given cyclic system, with one of the vertices pointing down. Then, a circle is drawn enclosing the polygon so that...
Molecular Orbital Theory II03:51

Molecular Orbital Theory II

Molecular Orbital Energy Diagrams
MO Theory and Covalent Bonding02:40

MO Theory and Covalent Bonding

The molecular orbital theory describes the distribution of electrons in molecules in a manner similar to the distribution of electrons in atomic orbitals. The region of space in which a valence electron in a molecule is likely to be found is called a molecular orbital. Mathematically, the linear combination of atomic orbitals (LCAO) generates molecular orbitals. Combinations of in-phase atomic orbital wave functions result in regions with a high probability of electron density, while...
Crystal Field Theory - Octahedral Complexes02:58

Crystal Field Theory - Octahedral Complexes

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...

You might also read

Related Articles

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

Sort by
Same author

Bioassay-guided Isolation of Antibacterial Compounds from Ethanolic Extract of Alstonia scholaris (L.) R. Br. Leaves and Developmental Toxicity Evaluation in Zebrafish (Danio rerio) Embryos.

Current microbiology·2026
Same author

Decarboxylation via a Higher Electronic Excited State Drives LSSmOrange Photoconversion.

ACS physical chemistry Au·2026
Same author

Synthesis, Photophysical Characterization, and Anticancer Evaluation of Novel Furochromene Derivatives.

ChemistryOpen·2026
Same author

Crystal Engineering of Intrinsic Dynamicity in Metal-Organic Frameworks for Adaptive Multicomponent Catalysis.

Angewandte Chemie (International ed. in English)·2026
Same author

An unusual two-dimensional MOF formed from Ni<sup>II</sup>, thio-phene-2,5-di-carboxyl-ate and <i>trans</i>-1,2-bis-(pyridin-4-yl)ethyl-ene.

Acta crystallographica. Section E, Crystallographic communications·2026
Same author

Synthesis, structure-activity relationship study and molecular modeling of triazolo[4,5-d]pyrimidines targeting an intracellular allosteric binding site of various chemokine receptors.

European journal of medicinal chemistry·2026

Related Experiment Video

Updated: Jul 18, 2026

From Molecules to Materials: Engineering New Ionic Liquid Crystals Through Halogen Bonding
06:44

From Molecules to Materials: Engineering New Ionic Liquid Crystals Through Halogen Bonding

Published on: March 24, 2018

Discovering H-bonding rules in crystals with inductive logic programming.

Howard Y Ando1, Luc Dehaspe, Walter Luyten

  • 1Research Formulations, Pfizer Global Research and Development, Ann Arbor Laboratories, Ann Arbor, Michigan 48105, USA. Howard.Ando@Pfizer.com

Molecular Pharmaceutics
|December 5, 2006
PubMed
Summary

This study introduces a new method using inductive logic programming (ILP) to predict hydrogen bonding (H-bonding) patterns in crystals from 2D structural data, improving accuracy by considering local environments.

More Related Videos

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
13:56

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations

Published on: October 12, 2019

Construction and Systematical Symmetric Studies of a Series of Supramolecular Clusters with Binary or Ternary Ammonium Triphenylacetates
06:35

Construction and Systematical Symmetric Studies of a Series of Supramolecular Clusters with Binary or Ternary Ammonium Triphenylacetates

Published on: February 15, 2016

Related Experiment Videos

Last Updated: Jul 18, 2026

From Molecules to Materials: Engineering New Ionic Liquid Crystals Through Halogen Bonding
06:44

From Molecules to Materials: Engineering New Ionic Liquid Crystals Through Halogen Bonding

Published on: March 24, 2018

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
13:56

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations

Published on: October 12, 2019

Construction and Systematical Symmetric Studies of a Series of Supramolecular Clusters with Binary or Ternary Ammonium Triphenylacetates
06:35

Construction and Systematical Symmetric Studies of a Series of Supramolecular Clusters with Binary or Ternary Ammonium Triphenylacetates

Published on: February 15, 2016

Area of Science:

  • Crystal Engineering
  • Computational Chemistry
  • Structural Chemistry

Background:

  • Existing classification schemes for hydrogen bonding (H-bonding) patterns primarily rely on 3D crystal structures.
  • Predicting H-bonding from 2D structural information is a key challenge in crystal engineering.

Purpose of the Study:

  • To develop rules for predicting H-bonding in crystals using only 2D structural information.
  • To complement existing 3D-based H-bonding classification schemes.
  • To create a self-extracting expert system for H-bonding prediction.

Main Methods:

  • Application of inductive logic programming (ILP) technology.
  • Utilizing data from the Cambridge Structural Database (CSD) for small molecule crystal structures.
  • Developing a system that refers to the local structural environment of potential H-bond donor/acceptor pairs.

Main Results:

  • A self-extracting expert system for H-bonding prediction was developed using ILP.
  • Performance in predicting H-bonding patterns significantly increased when the ILP system considered local structural environments.
  • ILP approach demonstrated advantages over traditional methods relying on global molecular properties.

Conclusions:

  • Inductive logic programming (ILP) is effective for extracting structure-specific rules for H-bonding prediction.
  • Considering the local structural environment enhances the accuracy of H-bonding prediction from 2D data.
  • This approach offers a novel way to predict and understand H-bonding in crystal structures.