Related Experiment Video
Updated: Feb 6, 2026
12:05
Production of Disulfide-stabilized Transmembrane Peptide Complexes for Structural Studies
Published on: March 6, 2013
14.6K
Structure and Spectroscopy of Furan:H2O Complexes
Schuyler P Lockwood1, Tyler G Fuller1, Josh J Newby1
1Department of Chemistry , Hobart and William Smith Colleges , Geneva , New York 14456 , United States.
The Journal of Physical Chemistry. A
|August 25, 2018
Summary
Researchers explored the furan-water complex using computational methods and matrix isolation FTIR. The study identified a stable 1:1 complex primarily stabilized by hydrogen bonding, specifically O-H···O interactions.
Area of Science:
- Physical Chemistry
- Computational Chemistry
- Spectroscopy
Background:
- Furan and water are common molecules with potential for intermolecular interactions.
- Understanding non-covalent interactions is crucial in various chemical and biological systems.
Purpose of the Study:
- To investigate the stable structures and interactions within the 1:1 complex of furan and water.
- To characterize the hydrogen bonding motifs governing the complex formation.
Main Methods:
- Computational chemistry: Density functional theory (DFT) and Møller-Plesset second-order perturbation theory (MP2).
- Matrix isolation Fourier-transform infrared spectroscopy (FTIR) at cryogenic temperatures (15 K and 30 K).
- Analysis of vibrational spectra of furan-water complexes and isotopologues.
Main Results:
- Four unique geometries for the furan-water complex were predicted computationally.
- The most stable complex identified was stabilized by an O-H···O hydrogen bond.
- Matrix isolation FTIR experiments confirmed the formation of stable 1:1 complexes, with spectral features consistent with O-H···O interactions.
Conclusions:
- The 1:1 complex of furan and water predominantly forms a single, stable geometry in cryogenic matrices.
- Hydrogen bonding, specifically O-H···O interaction, is the primary stabilizing force for this complex.
- Computational and experimental results corroborate the structural and energetic properties of the furan-water complex.
Related Concept Videos
01:32Assembly of Complex Microtubule Structures
2.5K
Complex microtubule structures are present in resting cells and in dividing cells. In resting cells, they are responsible for maintaining the cellular architecture, tracks for intracellular transport, positioning of organelles, assembly of cilia and flagella. They mediate the bipolar spindle assembly for chromosomal segregation and positioning of the cell division plate in dividing cells. The formation of microtubule complex structures depends on the cell type, cell stage, and cell function.
2.5K
02:34Structural Isomerism
21.7K
Isomerism in Complexes
Isomers are different chemical species that have the same chemical formula. Structural isomerism of coordination compounds can be divided into two subcategories, the linkage isomers and coordination-sphere isomers.
Linkage isomers occur when the coordination compound contains a ligand that can bind to the transition metal center through two different atoms. For example, the CN− ligand can bind through the carbon atom or through the nitrogen atom. Similarly, SCN− can...
Isomers are different chemical species that have the same chemical formula. Structural isomerism of coordination compounds can be divided into two subcategories, the linkage isomers and coordination-sphere isomers.
Linkage isomers occur when the coordination compound contains a ligand that can bind to the transition metal center through two different atoms. For example, the CN− ligand can bind through the carbon atom or through the nitrogen atom. Similarly, SCN− can...
21.7K
02:41Protein Complex Assembly
16.8K
Proteins can form homomeric complexes with another unit of the same protein or heteromeric complexes with different types. Most protein complexes self-assemble spontaneously via ordered pathways, while some proteins need assembly factors that guide their proper assembly. Despite the crowded intracellular environment, proteins usually interact with their correct partners and form functional complexes.
Many viruses self-assemble into a fully functional unit using the infected host cell to...
Many viruses self-assemble into a fully functional unit using the infected host cell to...
16.8K
01:57Protein Complexes with Interchangeable Parts
2.9K
Groups of proteins may form a complex where each protein in this complex has a different role in the overall execution of the complex’s function. Often some of the proteins in the complex can be replaced by a closely related variant to give a complex that contains many of the same components yet is functionally distinct.
The SCF ubiquitin ligase is a protein complex of five individual proteins. This complex attaches ubiquitin to other target proteins to mark them for degradation. In order...
The SCF ubiquitin ligase is a protein complex of five individual proteins. This complex attaches ubiquitin to other target proteins to mark them for degradation. In order...
2.9K
02:58Crystal Field Theory - Octahedral Complexes
30.9K
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...
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...
30.9K
02:10Additional Subnuclear Structures
5.4K
The eukaryotic nucleus is a double membrane-bound organelle that contains nearly all of the cell’s genetic material in the form of chromosomes. It is rightly called the “brain” of the cell as it shoulders the responsibility of responding to various physiological processes, stress, altered metabolic conditions, and other cellular signals.
The nucleus contains many membrane-less subnuclear organelles or nuclear bodies, such as nucleoli, Cajal bodies, speckles,...
The nucleus contains many membrane-less subnuclear organelles or nuclear bodies, such as nucleoli, Cajal bodies, speckles,...
5.4K