Photoelectron angular distributions as probes of cluster anion structure: I-·(H2O)2and I-·(CH3CN)2

Foster Mbaiwa; Nicholas Holtgrewe; Diep Bich Dao; Joshua Lasinski; Richard Mabbs

doi:10.1021/jp4104596

Photoelectron angular distributions as probes of cluster anion structure: I^-·(H₂O)₂and I^-·(CH₃CN)₂

Foster Mbaiwa, Nicholas Holtgrewe, Diep Bich Dao, Joshua Lasinski, Richard Mabbs

Chemical & Forensic Sciences

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

2 Citations (Scopus)

Abstract

The use of photoelectron angular distributions to provide structural details of cluster environments is investigated. Photoelectron spectra and angular distributions of I^-·(H₂O)₂ and I^-·(CH₃CN)₂ cluster anions are recorded over a range of photon energies. The anisotropy parameter (innodatabeta) for electrons undergoes a sharp change (Δβ_max) at photon energies close to a detachment channel threshold. I^-·(H₂O)₂ results show the relationship between dipole moment and Δβ_max to be similar to that observed in monosolvated I^- detachment. The Δβ_max of the 4.0 eV band in the I-·(CH₃CN)₂ photoelectron spectrum suggests a dipole moment of 5-6 D. This is consistent with predictions of a hydrogen bonded conformer of the I^-· (CH₃CN)₂ cluster anion [Timerghazin, Q. K.; Nguyen, T. N.; Peslherbe, G. H. J. Chem. Phys. 2002, 116, 6867-6870]. (Chemical Equation Presented).

Original language	English
Pages (from-to)	7249-7254
Number of pages	6
Journal	Journal of Physical Chemistry A
Volume	118
Issue number	35
DOIs	https://doi.org/10.1021/jp4104596
Publication status	Published - Sept 4 2014

All Science Journal Classification (ASJC) codes

Physical and Theoretical Chemistry

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10.1021/jp4104596

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title = "Photoelectron angular distributions as probes of cluster anion structure: I-·(H2O)2and I-·(CH3CN)2",

abstract = "The use of photoelectron angular distributions to provide structural details of cluster environments is investigated. Photoelectron spectra and angular distributions of I-·(H2O)2 and I-·(CH3CN)2 cluster anions are recorded over a range of photon energies. The anisotropy parameter (innodatabeta) for electrons undergoes a sharp change (Δβmax) at photon energies close to a detachment channel threshold. I-·(H2O)2 results show the relationship between dipole moment and Δβmax to be similar to that observed in monosolvated I- detachment. The Δβmax of the 4.0 eV band in the I-·(CH3CN)2 photoelectron spectrum suggests a dipole moment of 5-6 D. This is consistent with predictions of a hydrogen bonded conformer of the I-· (CH3CN)2 cluster anion [Timerghazin, Q. K.; Nguyen, T. N.; Peslherbe, G. H. J. Chem. Phys. 2002, 116, 6867-6870]. (Chemical Equation Presented).",

author = "Foster Mbaiwa and Nicholas Holtgrewe and Dao, {Diep Bich} and Joshua Lasinski and Richard Mabbs",

note = "Publisher Copyright: {\textcopyright} 2014 American Chemical Society.",

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doi = "10.1021/jp4104596",

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T2 - I-·(H2O)2and I-·(CH3CN)2

AU - Mbaiwa, Foster

AU - Holtgrewe, Nicholas

AU - Dao, Diep Bich

AU - Lasinski, Joshua

AU - Mabbs, Richard

PY - 2014/9/4

Y1 - 2014/9/4

N2 - The use of photoelectron angular distributions to provide structural details of cluster environments is investigated. Photoelectron spectra and angular distributions of I-·(H2O)2 and I-·(CH3CN)2 cluster anions are recorded over a range of photon energies. The anisotropy parameter (innodatabeta) for electrons undergoes a sharp change (Δβmax) at photon energies close to a detachment channel threshold. I-·(H2O)2 results show the relationship between dipole moment and Δβmax to be similar to that observed in monosolvated I- detachment. The Δβmax of the 4.0 eV band in the I-·(CH3CN)2 photoelectron spectrum suggests a dipole moment of 5-6 D. This is consistent with predictions of a hydrogen bonded conformer of the I-· (CH3CN)2 cluster anion [Timerghazin, Q. K.; Nguyen, T. N.; Peslherbe, G. H. J. Chem. Phys. 2002, 116, 6867-6870]. (Chemical Equation Presented).

AB - The use of photoelectron angular distributions to provide structural details of cluster environments is investigated. Photoelectron spectra and angular distributions of I-·(H2O)2 and I-·(CH3CN)2 cluster anions are recorded over a range of photon energies. The anisotropy parameter (innodatabeta) for electrons undergoes a sharp change (Δβmax) at photon energies close to a detachment channel threshold. I-·(H2O)2 results show the relationship between dipole moment and Δβmax to be similar to that observed in monosolvated I- detachment. The Δβmax of the 4.0 eV band in the I-·(CH3CN)2 photoelectron spectrum suggests a dipole moment of 5-6 D. This is consistent with predictions of a hydrogen bonded conformer of the I-· (CH3CN)2 cluster anion [Timerghazin, Q. K.; Nguyen, T. N.; Peslherbe, G. H. J. Chem. Phys. 2002, 116, 6867-6870]. (Chemical Equation Presented).

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Photoelectron angular distributions as probes of cluster anion structure: I^-·(H₂O)₂and I^-·(CH₃CN)₂

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