Related Experiment Video
Updated: Aug 5, 2026

Attaching Biological Probes to Silica Optical Biosensors Using Silane Coupling Agents
Published on: May 1, 2012
Surface coverages of bonded-phase ligands on silica: a computational study
N D Zhuravlev1, J I Siepmann, M R Schure
1Department of Chemistry, University of Minnesota, Minneapolis 55455-0431, USA. zhuravle@chem.umn.edu
Abstract:
A computational study of the packing of various bonded-phase ligands bound to chromatographic silica is presented. This is done with the intention of examing the type of surface structures that are typically found in real chromatographic systems. Utilizing the surface structure of the (111) face of the beta-cristobalite crystal, it is shown that the maximum surface coverages of dimethyloctylsilane, dimethyloctadecylsilane, triisopropylsilane, diisopropyloctylsilane, and diisopropyloctadecylsilane can be calculated that are in good agreement with experiment. The maximum surface coverages are also calculated for the (100) face of the beta-cristobalite crystal and for a set of random silica surfaces. The coverages for the latter two surfaces types are found to be significantly lower than the experimental values for chromatographic silica surfaces. These results further suggest that chromatographic silica surfaces may resemble crystalline surface sites similar to the (111) face of beta-cristobalite, as has been previously suggested in the literature. Hence, these structures can be reliably utilized in molecular simulations of bonded-phase chromatography where the atomic-level detail of the silica surface has been previously lacking.
More Related Videos
09:37Imine Metathesis by Silica-Supported Catalysts Using the Methodology of Surface Organometallic Chemistry
Published on: October 18, 2019
08:02Rendering SiO2/Si Surfaces Omniphobic by Carving Gas-Entrapping Microtextures Comprising Reentrant and Doubly Reentrant Cavities or Pillars
Published on: February 11, 2020
Related Concept Videos
Hybridization of Atomic Orbitals I
Crystal Field Theory - Octahedral Complexes
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...
Ligand Binding Sites
Protein-ligand interactions are quite specific; even though numerous potential ligands surround a cellular protein at any given time, only a particular ligand can bind to that protein. Moreover, a ligand binds only to a dedicated area on the surface of the protein, known as the...
MO Theory and Covalent Bonding
Silica Gel Column Chromatography: Overview
Polar components tend to bind strongly to the silica gel, causing them to move slowly through the column. In contrast, nonpolar compounds...