Photoinduced ionization and dissociation of aniline-(methanol)n clusters

Hye Sun Park; Sang Hwan Nam; Jae Kyu Song; Seung Min Park

doi:10.1016/j.ijms.2006.10.006

Photoinduced ionization and dissociation of aniline-(methanol)_n clusters

Hye Sun Park
, Sang Hwan Nam
, Jae Kyu Song
, Seung Min Park

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

15 Citations (Scopus)

Abstract

A linear tandem-type time-of-flight mass spectrometer was employed to study unimolecular dissociation of metastable aniline⁺-(methanol)_n (An⁺-(CH₃OH)_n, n = 2-9) cluster cations formed by two-photon ionization of neutral clusters. The dominant dissociation channel was to liberate a single methanol molecule, namely, An⁺-(CH₃OH)_n → An⁺-(CH₃OH)_n-1 + CH₃OH. The decay time constant of the ions ranged from 65 to 460 μs and turned out to be highly dependent on the cluster size. Also, hydrogen transfer mechanism in the formation of An⁺-(CH₃OH)_nH was examined by analyzing experimental results from isotopomers, such as deuterated An-d₇⁺-(CH₃OD) and An-d₇⁺-(CD₃OD) cluster ions. Density functional theory calculations were carried out to obtain optimized structures for neutral and ionic clusters and to support mechanisms related to the hydrogen transfer and unimolecular dissociation reaction.

Original language	English
Pages (from-to)	73-79
Number of pages	7
Journal	International Journal of Mass Spectrometry
Volume	262
Issue number	1-2
DOIs	https://doi.org/10.1016/j.ijms.2006.10.006
Publication status	Published - 15 Apr 2007

Bibliographical note

Funding Information:
This work was supported by the Korea Research Foundation Grant funded by the Korean Government (MOEHRD, Basic Research Promotion Fund, KRF-2005-070-C00063).

Keywords

Cluster
Hydrogen transfer
Unimolecular dissociation

Access to Document

10.1016/j.ijms.2006.10.006

Cite this

@article{b60012633d134d399a5a79ecc3829dd0,

title = "Photoinduced ionization and dissociation of aniline-(methanol)n clusters",

abstract = "A linear tandem-type time-of-flight mass spectrometer was employed to study unimolecular dissociation of metastable aniline+-(methanol)n (An+-(CH3OH)n, n = 2-9) cluster cations formed by two-photon ionization of neutral clusters. The dominant dissociation channel was to liberate a single methanol molecule, namely, An+-(CH3OH)n → An+-(CH3OH)n-1 + CH3OH. The decay time constant of the ions ranged from 65 to 460 μs and turned out to be highly dependent on the cluster size. Also, hydrogen transfer mechanism in the formation of An+-(CH3OH)nH was examined by analyzing experimental results from isotopomers, such as deuterated An-d7+-(CH3OD) and An-d7+-(CD3OD) cluster ions. Density functional theory calculations were carried out to obtain optimized structures for neutral and ionic clusters and to support mechanisms related to the hydrogen transfer and unimolecular dissociation reaction.",

keywords = "Cluster, Hydrogen transfer, Unimolecular dissociation",

author = "Park, \{Hye Sun\} and Nam, \{Sang Hwan\} and Song, \{Jae Kyu\} and Park, \{Seung Min\}",

note = "Funding Information: This work was supported by the Korea Research Foundation Grant funded by the Korean Government (MOEHRD, Basic Research Promotion Fund, KRF-2005-070-C00063).",

year = "2007",

month = apr,

day = "15",

doi = "10.1016/j.ijms.2006.10.006",

language = "English",

volume = "262",

pages = "73--79",

journal = "International Journal of Mass Spectrometry",

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publisher = "Elsevier BV",

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}

TY - JOUR

T1 - Photoinduced ionization and dissociation of aniline-(methanol)n clusters

AU - Park, Hye Sun

AU - Nam, Sang Hwan

AU - Song, Jae Kyu

AU - Park, Seung Min

N1 - Funding Information: This work was supported by the Korea Research Foundation Grant funded by the Korean Government (MOEHRD, Basic Research Promotion Fund, KRF-2005-070-C00063).

PY - 2007/4/15

Y1 - 2007/4/15

N2 - A linear tandem-type time-of-flight mass spectrometer was employed to study unimolecular dissociation of metastable aniline+-(methanol)n (An+-(CH3OH)n, n = 2-9) cluster cations formed by two-photon ionization of neutral clusters. The dominant dissociation channel was to liberate a single methanol molecule, namely, An+-(CH3OH)n → An+-(CH3OH)n-1 + CH3OH. The decay time constant of the ions ranged from 65 to 460 μs and turned out to be highly dependent on the cluster size. Also, hydrogen transfer mechanism in the formation of An+-(CH3OH)nH was examined by analyzing experimental results from isotopomers, such as deuterated An-d7+-(CH3OD) and An-d7+-(CD3OD) cluster ions. Density functional theory calculations were carried out to obtain optimized structures for neutral and ionic clusters and to support mechanisms related to the hydrogen transfer and unimolecular dissociation reaction.

AB - A linear tandem-type time-of-flight mass spectrometer was employed to study unimolecular dissociation of metastable aniline+-(methanol)n (An+-(CH3OH)n, n = 2-9) cluster cations formed by two-photon ionization of neutral clusters. The dominant dissociation channel was to liberate a single methanol molecule, namely, An+-(CH3OH)n → An+-(CH3OH)n-1 + CH3OH. The decay time constant of the ions ranged from 65 to 460 μs and turned out to be highly dependent on the cluster size. Also, hydrogen transfer mechanism in the formation of An+-(CH3OH)nH was examined by analyzing experimental results from isotopomers, such as deuterated An-d7+-(CH3OD) and An-d7+-(CD3OD) cluster ions. Density functional theory calculations were carried out to obtain optimized structures for neutral and ionic clusters and to support mechanisms related to the hydrogen transfer and unimolecular dissociation reaction.

KW - Cluster

KW - Hydrogen transfer

KW - Unimolecular dissociation

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DO - 10.1016/j.ijms.2006.10.006

M3 - Article

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JO - International Journal of Mass Spectrometry

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