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 Experiment Videos

Shared and closed-shell O-O interactions in silicates.

G V Gibbs1, R T Downs, D F Cox

  • 1Department of Geosciences and Department of Chemical Engineering, Virginia Tech, Blacksburg, Virginia 24061, USA. gvgibbs@vt.edu

The Journal of Physical Chemistry. A
|March 8, 2008
PubMed
Summary
This summary is machine-generated.

Related Concept Videos

You might also read

Related Articles

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

Sort by
Same author

Oxidation and recharge of reactive structural Fe(II) in titanomagnetite (Fe<sub>3-<i>x</i></sub>Ti<sub><i>x</i></sub>O<sub>4</sub>) nanoparticles.

Nanoscale·2025
Same author

Molecular-scale mechanisms of CO<sub>2</sub> mineralization in nanoscale interfacial water films.

Nature reviews. Chemistry·2023
Same author

Brine-driven destruction of clay minerals in Gale crater, Mars.

Science (New York, N.Y.)·2021
Same author

Evidence for Multiple Diagenetic Episodes in Ancient Fluvial-Lacustrine Sedimentary Rocks in Gale Crater, Mars.

Journal of geophysical research. Planets·2020
Same author

Connecting particle interactions to agglomerate morphology and rheology of boehmite nanocrystal suspensions.

Journal of colloid and interface science·2020
Same author

Effects of Ionic Strength, Salt, and pH on Aggregation of Boehmite Nanocrystals: Tumbler Small-Angle Neutron and X-ray Scattering and Imaging Analysis.

Langmuir : the ACS journal of surfaces and colloids·2018
Same journal

Scalable Quantum-Classical Hybrid Algorithm for Excited States Based on Divide-and-Conquer Unitary Coupled-Cluster Linear-Response Theory Using Dynamical Polarizability.

The journal of physical chemistry. A·2026
Same journal

Donor-Acceptor Strength from the Real-Space-Partitioning of One Particle Transition Density Matrix.

The journal of physical chemistry. A·2026
Same journal

A Deterministic Computational Framework for Exact Orientational Averaging and Complete Irreducible SO(3) Decomposition of Dynamic Hyperpolarizability Tensors.

The journal of physical chemistry. A·2026
Same journal

Exploration of the van der Waals Region of the NO <i>A</i><sup>2</sup>Σ<sup>+</sup> + N<sub>2</sub> <i>X</i><sup>1</sup>Σ<sub><i>g</i></sub><sup>+</sup> Collision Complex.

The journal of physical chemistry. A·2026
Same journal

The Molecular and Electronic Structure of NdF<sub>2</sub><sup>-/0</sup>.

The journal of physical chemistry. A·2026
Same journal

The Two-Photon Polarization Ratio Explains Unusual Shape of the Two-Photon Absorption Spectra of Dyes and Detects Weak Excitonic Coupling in Fluorescent Protein Dimers.

The journal of physical chemistry. A·2026
See all related articles

Electron density bond paths between oxygen atoms in silicates are weak interactions. These O-O bond paths can be explained by metal atom electron density superposition or structural stabilization effects.

Area of Science:

  • Solid-state chemistry
  • Materials science
  • Computational chemistry

Background:

  • Silicates commonly exhibit O-O bond paths between coordination polyhedra.
  • These bond paths are characterized by maximum electron density and weak closed-shell interactions.

Purpose of the Study:

  • To investigate the nature and origin of O-O bond paths in silicates.
  • To differentiate between closed-shell and shared interactions based on electron density properties.

Main Methods:

  • Analysis of electron density, rho(rc), and local electronic energy density, H(rc), at bond critical points, rc.
  • Modeling based on O-O separation, R(O-O), and distances of Si atoms from the midpoint.
  • Comparison with M-O bonded interactions for various metal atoms (M).

Related Experiment Videos

Main Results:

  • O-O bond paths in coesite were partitioned into domains with and without these paths.
  • Weak closed-shell O-O interactions show increasing H(rc) with increasing rho(rc), similar to closed-shell M-O interactions.
  • The O2 molecule in silica III exhibits a shared interaction, evidenced by negative H(rc).

Conclusions:

  • O-O bond paths can arise from metal atom electron density superposition or contribute to structural stabilization.
  • Electron density properties, specifically H(rc), effectively distinguish between closed-shell and shared interactions.
  • The findings provide insights into bonding mechanisms in silicate structures.