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Related Concept Videos

Halogens03:01

Halogens

24.0K
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. 
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Alkyl Halides02:45

Alkyl Halides

21.2K
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...
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Alkali Metals03:06

Alkali Metals

25.4K
Group 1 elements are soft and shiny metallic solids. They are malleable, ductile, and good conductors of heat and electricity. The melting points of the alkali metals are unusually low for metals and decrease going down the group, while the density increases going down the group with the exception of potassium (Table 1).
Table 1: Properties of the alkali metals
25.4K
ortho–para-Directing Deactivators: Halogens01:24

ortho–para-Directing Deactivators: Halogens

7.1K
Halogens are ortho–para directors. They are more electronegative than carbon. Therefore, as ring substituents, they can withdraw electrons through the inductive effect and deactivate the aromatic ring towards electrophilic substitution. Halogens also have an electron-donating resonance effect on the ring, which influences the orientation of the incoming electrophile. If an electrophile attacks at the ortho or the para position, the halogen donates electrons and stabilizes the intermediate...
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SN2 Reaction: Transition State02:26

SN2 Reaction: Transition State

12.6K
An SN2 reaction of an alkyl halide is a single-step process in which bond formation between the nucleophile and the substrate and bond breaking between the substrate and the halide occurs simultaneously through a transition state without forming an intermediate.
When the nucleophile approaches the electrophilic carbon with its lone pairs, the halide acts as a leaving group and moves away with the electron-pair bonded to the carbon. Dotted partial bonds represent the bonds being formed or broken...
12.6K
Radical Substitution: Allylic Chlorination01:31

Radical Substitution: Allylic Chlorination

3.4K
Typically, when alkenes react with halogens at low temperatures, an addition reaction occurs. However, upon increasing the temperature or under reaction conditions that form radicals, providing a low but steady concentration of halogen radicals, allylic substitution reaction is favored. This is because allylic hydrogens are very reactive as the formed intermediate is resonance stabilized. For example, when propene is treated with chlorine in the gas phase at 400 °C, it undergoes allylic...
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Related Experiment Video

Updated: Mar 19, 2026

The Synthesis of [Sn10SiSiMe334]2- Using a Metastable SnI Halide Solution Synthesized via a Co-condensation Technique
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The Synthesis of [Sn10SiSiMe334]2- Using a Metastable SnI Halide Solution Synthesized via a Co-condensation Technique

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Chemical Reactivity Perspective into the Group 2B Metals Halides.

Alimet Sema Özen1, Zehra Akdeniz1

  • 1Faculty of Science and Letters, Piri Reis University , 34940 Tuzla, Istanbul.

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|June 9, 2016
PubMed
Summary

This study explores chemical reactivity in Group 2B metal halides using density functional theory. Steric effects were identified as key to understanding interactions and deviations in reactivity principles.

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

  • Computational chemistry
  • Theoretical chemistry
  • Quantum chemistry

Background:

  • Conceptual density functional theory (DFT) provides insights into chemical interactions.
  • Understanding interactions between metal halide monomers is crucial for simulations.
  • Group 2B metal halides (Zn, Cd, Hg with F, Cl, Br, I) are relevant in various chemical contexts.

Purpose of the Study:

  • To investigate chemical reactivity descriptors for Group 2B metal halide monomers and dimers.
  • To correlate reactivity descriptors with dimerization energies, considering relativistic effects.
  • To systematically analyze relativistic effects on chemical reactivity in these compounds.

Main Methods:

  • Utilized density functional theory (DFT) for calculations.
  • Employed the effective core potential (ECP) approach to include relativistic effects.
  • Calculated global and local chemical reactivity descriptors.
  • Analyzed correlations between descriptors and dimerization energies.

Main Results:

  • Established correlations between global/local reactivity descriptors and dimerization energies.
  • Demonstrated the influence of relativistic effects on chemical reactivity.
  • Identified steric effects as a significant factor causing deviations from established chemical reactivity principles.
  • Showed that steric effects impact local softness descriptors.

Conclusions:

  • The study provides a systematic investigation of Group 2B metal halides, combining relativistic effects and reactivity descriptors.
  • Steric effects play a crucial role in the reactivity of these compounds, influencing descriptors like local softness.
  • Findings contribute to a better understanding of metal halide interactions for potential applications in simulations.