Related Experiment Video
Updated: Jun 21, 2026
06:35
Construction and Systematical Symmetric Studies of a Series of Supramolecular Clusters with Binary or Ternary Ammonium Triphenylacetates
Published on: February 15, 2016
Experimental and theoretical investigation on binary anionic clusters of Al(m)Bi(n)(-)
Zhang Sun1, Qihe Zhu, Zhen Gao
1Beijing National Laboratory for Molecular Sciences (BNLMS), State Key Laboratory of Molecular Reaction Dynamics, Center of Molecular Science, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190, PR China.
Rapid Communications in Mass Spectrometry : RCM
|July 25, 2009
Summary
Aluminum-bismuth cluster anions were generated and studied. The Al(2)Bi(3)(-) cluster anion exhibits exceptional stability, confirmed by density functional theory, and acts as a gas-phase Zintl analogue.
Area of Science:
- Inorganic Chemistry
- Materials Science
- Computational Chemistry
Background:
- Binary cluster anions are crucial for understanding chemical bonding and material properties.
- Laser ablation and mass spectrometry are key techniques for generating and analyzing gas-phase clusters.
Purpose of the Study:
- To synthesize and characterize aluminum-bismuth (Al(m)Bi(n)(-)) cluster anions.
- To investigate the structural stability and electronic properties of these clusters, particularly Al(2)Bi(3)(-).
- To explore the Zintl-like behavior of stable Al-Bi clusters.
Main Methods:
- Generation of Al(m)Bi(n)(-) anions using laser ablation of Al and Bi.
- Analysis of cluster anions via reflectron time-of-flight mass spectrometry (RTOF-MS).
- Structural elucidation using density functional theory (DFT) calculations.
Main Results:
- Observation of magic numbers in the mass spectrum, indicating particularly stable clusters.
- DFT calculations identified stable structures for Al(m)Bi(n)(-) clusters (m+n <= 7).
- Al(2)Bi(3)(-) was confirmed as a highly stable cluster, with calculated binding energy, energy gain, and HOMO-LUMO gap supporting its stability.
Conclusions:
- The Al(2)Bi(3)(-) cluster anion possesses a remarkably stable structure.
- This stable cluster can be considered a gas-phase Zintl analogue, following Wade's rules.
- Al(2)Bi(3)(-) serves as an analogue to known Zintl ions like Ga(2)Bi(3)(-) and Sn(5)(2-).
Related Concept Videos
01:18π Molecular Orbitals of the Allyl Cation and Anion
An allyl group is a three-carbon conjugated system where the sp³-hybridized allylic carbon is bonded to a CH=CH2 group via a single bond. Allyl anions can be obtained by treating propene with a strong base that can deprotonate methyl groups. Allyl cations are formed as intermediates during substitution reactions involving allylic halides. In both cases, the hybridization of the allylic carbon changes from sp3 to sp2, giving rise to a carbon chain with three sp2-hybridized carbons, each with an...
01:26Radical Substitution: Hydrogenolysis of Alkyl Halides with Tributyltin Hydride
Radical substitution reactions can be used to remove functional groups from molecules. The hydrogenolysis of alkyl halides is one such reaction, where the weak Sn–H bond in tributyltin hydride reacts with alkyl halides to form alkanes. Here, the reagent Bu3SnH yields tributyltin halide as a byproduct.
The bonds formed in this reaction are stronger than the bonds broken, making it energetically favorable. The reaction follows a radical chain mechanism similar to radical halogenation reactions,...
The bonds formed in this reaction are stronger than the bonds broken, making it energetically favorable. The reaction follows a radical chain mechanism similar to radical halogenation reactions,...
02:37Metallic Solids
Metallic solids such as crystals of copper, aluminum, and iron are formed by metal atoms. The structure of metallic crystals is often described as a uniform distribution of atomic nuclei within a “sea” of delocalized electrons. The atoms within such a metallic solid are held together by a unique force known as metallic bonding that gives rise to many useful and varied bulk properties.
All metallic solids exhibit high thermal and electrical conductivity, metallic luster, and malleability. Many...
All metallic solids exhibit high thermal and electrical conductivity, metallic luster, and malleability. Many...
02:38Electrophilic Addition to Alkynes: Halogenation
Introduction
Halogenation is another class of electrophilic addition reactions where a halogen molecule gets added across a π bond. In alkynes, the presence of two π bonds allows for the addition of two equivalents of halogens (bromine or chlorine). The addition of the first halogen molecule forms a trans-dihaloalkene as the major product and the cis isomer as the minor product. Subsequent addition of the second equivalent yields the tetrahalide.
Halogenation is another class of electrophilic addition reactions where a halogen molecule gets added across a π bond. In alkynes, the presence of two π bonds allows for the addition of two equivalents of halogens (bromine or chlorine). The addition of the first halogen molecule forms a trans-dihaloalkene as the major product and the cis isomer as the minor product. Subsequent addition of the second equivalent yields the tetrahalide.
02:48Ionic Bonding and Electron Transfer
Ions are atoms or molecules bearing an electrical charge. A cation (a positive ion) forms when a neutral atom loses one or more electrons from its valence shell, and an anion (a negative ion) forms when a neutral atom gains one or more electrons in its valence shell. Compounds composed of ions are called ionic compounds (or salts), and their constituent ions are held together by ionic bonds: electrostatic forces of attraction between oppositely charged cations and anions.
01:13¹H NMR: Complex Splitting
A proton M that is coupled to a proton X results in doublet signals for M. However, NMR-active nuclei can be simultaneously coupled to more than one nonequivalent nucleus. When M is coupled to a second proton A, such as in styrene oxide, each peak in the doublet is split into another doublet.
Splitting diagrams or splitting tree diagrams are routinely used to depict such complex couplings. While drawing splitting diagrams, the splitting with the larger coupling constant is usually applied first.
Splitting diagrams or splitting tree diagrams are routinely used to depict such complex couplings. While drawing splitting diagrams, the splitting with the larger coupling constant is usually applied first.