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Alkyl Halides

Alkyl Halides

Structural Properties
Alkyl halides are halogen-substituted alkanes wherein one or more hydrogen atoms of an alkane is replaced by a halogen atom such as fluorine, chlorine, bromine, or iodine. The carbon atom in an alkyl halide is bonded to the halogen atom, which is sp3-hybridized and exhibits a tetrahedral shape.
Unlike alkyl halides, compounds in which a halogen atom is bonded to an sp2 -hybridized carbon atom of a carbon-carbon double bond (C=C) are called vinyl halides. Whereas aryl...

Predicting Molecular Geometry

Predicting Molecular Geometry

VSEPR Theory for Determination of Electron Pair Geometries

Formal Charges

Formal Charges

In some cases, there are seemingly more than one valid Lewis structures for molecules and polyatomic ions. The concept of formal charges can be used to help predict the most appropriate Lewis structure when more than one reasonable structure exists.

Halogens

Halogens

Group 17 elements, known as halogens, are nonmetals. At room temperature, fluorine and chlorine are gases, bromine is a liquid, and iodine a solid. Astatine is a highly unstable radioactive element, so currently, most of its properties are unknown due to its short half-life. Tennessine is a synthetic element also predicted to be in this group.

Ionic Crystal Structures

Ionic Crystal Structures

Ionic crystals consist of two or more different kinds of ions that usually have different sizes. The packing of these ions into a crystal structure is more complex than the packing of metal atoms that are the same size.
Most monatomic ions behave as charged spheres, and their attraction for ions of opposite charge is the same in every direction. Consequently, stable structures for ionic compounds result (1) when ions of one charge are surrounded by as many ions as possible of the opposite...

Structural Isomerism

Structural Isomerism

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...

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Related Experiment Video

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

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

Published on: March 24, 2018

Hypervalent Iodine with Linear Chain at High Pressure.

Shubo Wei¹, Jianyun Wang¹, Shiyu Deng²

¹State Key Laboratory of Superhard Materials, Jilin University, Changchun 130012, China.

Scientific Reports

|September 25, 2015

Summary

High pressure stabilizes a new CsI3 phase (Pm-3n), exhibiting hypervalent iodine and superconductivity at 10 GPa. This metallic phase shows reverse electron donation, challenging conventional understanding of iodine compounds under extreme conditions.

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Synthesis and Purification of Iodoaziridines Involving Quantitative Selection of the Optimal Stationary Phase for Chromatography

Published on: May 16, 2014

Area of Science:

High-pressure physics and chemistry
Materials science
Solid-state chemistry

Background:

Hypervalent iodine compounds are crucial in organic synthesis.
Understanding iodine's behavior under extreme conditions is significant.
Previous studies on cesium iodide (CsI) under pressure are limited.

Purpose of the Study:

To predict the formation of new cesium-iodine (CsIn, n > 1) compounds under high pressure.
To investigate the structural, electronic, and superconductive properties of predicted CsI3 phases.
To explore the phenomenon of hypervalence and electron donation in iodine compounds at extreme conditions.

Main Methods:

Computational prediction of CsIn (n > 1) compounds using an effective algorithm up to 200 GPa.
Thermodynamic stability analysis of predicted phases.
Electronic structure calculations to determine metallic properties and electron donation.
Electron-phonon coupling calculations to assess superconductivity.

Main Results:

CsI3 with space group Pm-3n is predicted to be thermodynamically stable up to 200 GPa.
The Pm-3n CsI3 phase exhibits hypervalence in iodine atoms and an unusual reverse electron donation from iodine to cesium.
This phase is metallic, with energy bands crossing the Fermi surface.
Electron-phonon coupling calculations indicate superconductive potential at 10 GPa, significantly lower than CsI.

Conclusions:

The study reveals a novel, stable high-pressure phase of CsI3 (Pm-3n) with unique electronic properties.
The findings challenge conventional understanding of hypervalent iodine and electron donation under extreme pressure.
The predicted superconductivity of Pm-3n CsI3 at low pressure opens new avenues for materials science research.