Comprehensive study of the structure of aluminum trihalides from electron diffraction and computation

Zoltán Varga; Mária Kolonits; Magdolna Hargittai

doi:10.1007/s11224-011-9943-4

Comprehensive study of the structure of aluminum trihalides from electron diffraction and computation

Zoltán Varga, Mária Kolonits, Magdolna Hargittai

Chemistry (Twin Cities)

Research output: Contribution to journal › Article › peer-review

10 Scopus citations

Abstract

The molecular geometries of the complete series of aluminum trihalides, AlX ₃ (X = F, Cl, Br, and I), are discussed based on new gas-phase electron diffraction (GED) experiments (AlCl ₃ and Al ₂Cl ₆) and on the reanalysis of our previous GED data (for the rest of the series) with an improved and analogous treatment of the temperature effect on the average bond lengths. This is the first time that all structure analyses are based on GED experiments of homogeneous vapors; either as pure monomers or dimers. The structures of other small oligomers as well as those of the crystals of aluminum trihalides are also discussed.

Original language	English (US)
Pages (from-to)	879-893
Number of pages	15
Journal	Structural Chemistry
Volume	23
Issue number	3
DOIs	https://doi.org/10.1007/s11224-011-9943-4
State	Published - Jun 2012

Keywords

AlBr
AlCl
AlF
AlI
Aluminum tribromide
Aluminum trichloride
Aluminum trifuoride
Aluminum triiodide
Dimer
Electron diffraction
Monomer
Quantum chemical calculations

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10.1007/s11224-011-9943-4

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title = "Comprehensive study of the structure of aluminum trihalides from electron diffraction and computation",

abstract = "The molecular geometries of the complete series of aluminum trihalides, AlX 3 (X = F, Cl, Br, and I), are discussed based on new gas-phase electron diffraction (GED) experiments (AlCl 3 and Al 2Cl 6) and on the reanalysis of our previous GED data (for the rest of the series) with an improved and analogous treatment of the temperature effect on the average bond lengths. This is the first time that all structure analyses are based on GED experiments of homogeneous vapors; either as pure monomers or dimers. The structures of other small oligomers as well as those of the crystals of aluminum trihalides are also discussed.",

keywords = "AlBr, AlCl, AlF, AlI, Aluminum tribromide, Aluminum trichloride, Aluminum trifuoride, Aluminum triiodide, Dimer, Electron diffraction, Monomer, Quantum chemical calculations",

author = "Zolt{\'a}n Varga and M{\'a}ria Kolonits and Magdolna Hargittai",

year = "2012",

month = jun,

doi = "10.1007/s11224-011-9943-4",

language = "English (US)",

volume = "23",

pages = "879--893",

journal = "Structural Chemistry",

issn = "1040-0400",

publisher = "Springer New York",

number = "3",

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TY - JOUR

T1 - Comprehensive study of the structure of aluminum trihalides from electron diffraction and computation

AU - Varga, Zoltán

AU - Kolonits, Mária

AU - Hargittai, Magdolna

PY - 2012/6

Y1 - 2012/6

N2 - The molecular geometries of the complete series of aluminum trihalides, AlX 3 (X = F, Cl, Br, and I), are discussed based on new gas-phase electron diffraction (GED) experiments (AlCl 3 and Al 2Cl 6) and on the reanalysis of our previous GED data (for the rest of the series) with an improved and analogous treatment of the temperature effect on the average bond lengths. This is the first time that all structure analyses are based on GED experiments of homogeneous vapors; either as pure monomers or dimers. The structures of other small oligomers as well as those of the crystals of aluminum trihalides are also discussed.

AB - The molecular geometries of the complete series of aluminum trihalides, AlX 3 (X = F, Cl, Br, and I), are discussed based on new gas-phase electron diffraction (GED) experiments (AlCl 3 and Al 2Cl 6) and on the reanalysis of our previous GED data (for the rest of the series) with an improved and analogous treatment of the temperature effect on the average bond lengths. This is the first time that all structure analyses are based on GED experiments of homogeneous vapors; either as pure monomers or dimers. The structures of other small oligomers as well as those of the crystals of aluminum trihalides are also discussed.

KW - AlBr

KW - AlCl

KW - AlF

KW - AlI

KW - Aluminum tribromide

KW - Aluminum trichloride

KW - Aluminum trifuoride

KW - Aluminum triiodide

KW - Dimer

KW - Electron diffraction

KW - Monomer

KW - Quantum chemical calculations

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UR - http://www.scopus.com/inward/citedby.url?scp=84867233367&partnerID=8YFLogxK

U2 - 10.1007/s11224-011-9943-4

DO - 10.1007/s11224-011-9943-4

M3 - Article

AN - SCOPUS:84867233367

SN - 1040-0400

VL - 23

SP - 879

EP - 893

JO - Structural Chemistry

JF - Structural Chemistry

IS - 3

ER -

Comprehensive study of the structure of aluminum trihalides from electron diffraction and computation

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