Probing the gas-phase stability of the Re2X82- (X = Cl, Br) and Re2XnY8-n2- (X = Cl, Y = Br, n=1-3) metal-metal bond complexes

Christopher J. Taylor; Bohan Wu; Michael G. D. Nix; Caroline E. H. Dessent

doi:10.1016/j.cplett.2009.07.105

Probing the gas-phase stability of the Re2X82- (X = Cl, Br) and Re2XnY8-n2- (X = Cl, Y = Br, n=1-3) metal-metal bond complexes

Christopher J. Taylor, Bohan Wu, Michael G. D. Nix, Caroline E. H. Dessent

Chemistry

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

Abstract

The prototypical metal-metal multiple bonded molecule, Re2Cl82-, and the brominated analogues, Re2Br82- and Re2XnY8-n2- (X = Cl, Y = Br, n = 1-3) have been prepared using electrospray ionization and investigated using low-energy collision-induced dissociation in a quadrupole ion-trap. Each of the dianions studied here decays via ionic fragmentation (i.e. loss of a halide ion) upon resonance excitation in the ion-trap, and comparison of the collision energies for activated decay reveal that the Re-Cl bond is stronger than Re-Br. CASSCF(8, 8)/LANL2DZ calculations of the ionic fragmentation potential energy surfaces of Re2Cl82- and Re2Br82- are presented to support the experimental results. (c) 2009 Elsevier B.V. All rights reserved.

Original language	English
Pages (from-to)	184-188
Number of pages	5
Journal	Chemical Physics Letters
Volume	479
Issue number	4-6
DOIs	https://doi.org/10.1016/j.cplett.2009.07.105
Publication status	Published - 17 Sept 2009

Keywords

MULTIPLY-CHARGED ANIONS
QUADRUPOLE ION-TRAP
ELECTRONIC-STRUCTURE
MASS-SPECTROMETRY
ACTIVATED DISSOCIATION
COLLISIONAL ACTIVATION
CLUSTER IONS
DETACHMENT
ENERGY
THERMOCHEMISTRY

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10.1016/j.cplett.2009.07.105

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title = "Probing the gas-phase stability of the Re2X82- (X = Cl, Br) and Re2XnY8-n2- (X = Cl, Y = Br, n=1-3) metal-metal bond complexes",

abstract = "The prototypical metal-metal multiple bonded molecule, Re2Cl82-, and the brominated analogues, Re2Br82- and Re2XnY8-n2- (X = Cl, Y = Br, n = 1-3) have been prepared using electrospray ionization and investigated using low-energy collision-induced dissociation in a quadrupole ion-trap. Each of the dianions studied here decays via ionic fragmentation (i.e. loss of a halide ion) upon resonance excitation in the ion-trap, and comparison of the collision energies for activated decay reveal that the Re-Cl bond is stronger than Re-Br. CASSCF(8, 8)/LANL2DZ calculations of the ionic fragmentation potential energy surfaces of Re2Cl82- and Re2Br82- are presented to support the experimental results. (c) 2009 Elsevier B.V. All rights reserved.",

keywords = "MULTIPLY-CHARGED ANIONS, QUADRUPOLE ION-TRAP, ELECTRONIC-STRUCTURE, MASS-SPECTROMETRY, ACTIVATED DISSOCIATION, COLLISIONAL ACTIVATION, CLUSTER IONS, DETACHMENT, ENERGY, THERMOCHEMISTRY",

author = "Taylor, {Christopher J.} and Bohan Wu and Nix, {Michael G. D.} and Dessent, {Caroline E. H.}",

year = "2009",

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doi = "10.1016/j.cplett.2009.07.105",

language = "English",

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T1 - Probing the gas-phase stability of the Re2X82- (X = Cl, Br) and Re2XnY8-n2- (X = Cl, Y = Br, n=1-3) metal-metal bond complexes

AU - Taylor, Christopher J.

AU - Wu, Bohan

AU - Nix, Michael G. D.

AU - Dessent, Caroline E. H.

PY - 2009/9/17

Y1 - 2009/9/17

N2 - The prototypical metal-metal multiple bonded molecule, Re2Cl82-, and the brominated analogues, Re2Br82- and Re2XnY8-n2- (X = Cl, Y = Br, n = 1-3) have been prepared using electrospray ionization and investigated using low-energy collision-induced dissociation in a quadrupole ion-trap. Each of the dianions studied here decays via ionic fragmentation (i.e. loss of a halide ion) upon resonance excitation in the ion-trap, and comparison of the collision energies for activated decay reveal that the Re-Cl bond is stronger than Re-Br. CASSCF(8, 8)/LANL2DZ calculations of the ionic fragmentation potential energy surfaces of Re2Cl82- and Re2Br82- are presented to support the experimental results. (c) 2009 Elsevier B.V. All rights reserved.

AB - The prototypical metal-metal multiple bonded molecule, Re2Cl82-, and the brominated analogues, Re2Br82- and Re2XnY8-n2- (X = Cl, Y = Br, n = 1-3) have been prepared using electrospray ionization and investigated using low-energy collision-induced dissociation in a quadrupole ion-trap. Each of the dianions studied here decays via ionic fragmentation (i.e. loss of a halide ion) upon resonance excitation in the ion-trap, and comparison of the collision energies for activated decay reveal that the Re-Cl bond is stronger than Re-Br. CASSCF(8, 8)/LANL2DZ calculations of the ionic fragmentation potential energy surfaces of Re2Cl82- and Re2Br82- are presented to support the experimental results. (c) 2009 Elsevier B.V. All rights reserved.

KW - MULTIPLY-CHARGED ANIONS

KW - QUADRUPOLE ION-TRAP

KW - ELECTRONIC-STRUCTURE

KW - MASS-SPECTROMETRY

KW - ACTIVATED DISSOCIATION

KW - COLLISIONAL ACTIVATION

KW - CLUSTER IONS

KW - DETACHMENT

KW - ENERGY

KW - THERMOCHEMISTRY

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U2 - 10.1016/j.cplett.2009.07.105

DO - 10.1016/j.cplett.2009.07.105

M3 - Article

SN - 0009-2614

VL - 479

SP - 184

EP - 188

JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 4-6

ER -

Probing the gas-phase stability of the Re2X82- (X = Cl, Br) and Re2XnY8-n2- (X = Cl, Y = Br, n=1-3) metal-metal bond complexes

Abstract

Keywords

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