Intracluster reaction, fragmentation, and structure of monomethylamine, dimethylamine, and trimethylamine cluster ions

W. B. Tzeng, K. Narayanan, G. C. Chang, W. C. Tsai, J. J. Ho

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Abstract

Ammonia, monomethylamine (MMA), dimethylamine (DMA), and trimethylamine (TMA) clusters, formed in a supersonic expansion, were investigated using a multiphoton ionization time-of-flight mass spectrometer. The observed major product ions resulting from prompt fragmentation following ionization are (NH3)nH+, (CH3NH2)nH+, [(CH3)2NH]nH+, and [(CH3)3N]nH+. Detection of stable CH2=NH2+ and (CH2=NH-CH3)+ immonium ions and other fragments provides evidence for molecular rearrangement and fragmentation within our observable time windows. Anomalously large relative intensities observed for (NH3)5H+, (CH3NH2)4H+, [(CH3)2NH]3H+, and [(CH3)3N]2H+ are attributed to enhanced stability of the cluster ions, due to the complete filling of hydrogen-bonding sites on the "central ions". Fully optimized geometries and stabilization energies of these cluster ions have been predicted using ab initio molecular orbital methods. The experimental findings are in very good agreement with the calculated results.

Original languageEnglish
Pages (from-to)15340-15345
Number of pages6
JournalJournal of physical chemistry
Volume100
Issue number38
DOIs
Publication statusPublished - 1996 Sep 19

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fragmentation
Ions
ions
Ionization
ionization
Mass spectrometers
Molecular orbitals
Ammonia
mass spectrometers
ammonia
molecular orbitals
Hydrogen bonds
Stabilization
stabilization
fragments
dimethylamine
trimethylamine
methylamine
expansion
Geometry

ASJC Scopus subject areas

  • Engineering(all)
  • Physical and Theoretical Chemistry

Cite this

Intracluster reaction, fragmentation, and structure of monomethylamine, dimethylamine, and trimethylamine cluster ions. / Tzeng, W. B.; Narayanan, K.; Chang, G. C.; Tsai, W. C.; Ho, J. J.

In: Journal of physical chemistry, Vol. 100, No. 38, 19.09.1996, p. 15340-15345.

Research output: Contribution to journalArticle

Tzeng, W. B. ; Narayanan, K. ; Chang, G. C. ; Tsai, W. C. ; Ho, J. J. / Intracluster reaction, fragmentation, and structure of monomethylamine, dimethylamine, and trimethylamine cluster ions. In: Journal of physical chemistry. 1996 ; Vol. 100, No. 38. pp. 15340-15345.
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AU - Chang, G. C.

AU - Tsai, W. C.

AU - Ho, J. J.

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N2 - Ammonia, monomethylamine (MMA), dimethylamine (DMA), and trimethylamine (TMA) clusters, formed in a supersonic expansion, were investigated using a multiphoton ionization time-of-flight mass spectrometer. The observed major product ions resulting from prompt fragmentation following ionization are (NH3)nH+, (CH3NH2)nH+, [(CH3)2NH]nH+, and [(CH3)3N]nH+. Detection of stable CH2=NH2+ and (CH2=NH-CH3)+ immonium ions and other fragments provides evidence for molecular rearrangement and fragmentation within our observable time windows. Anomalously large relative intensities observed for (NH3)5H+, (CH3NH2)4H+, [(CH3)2NH]3H+, and [(CH3)3N]2H+ are attributed to enhanced stability of the cluster ions, due to the complete filling of hydrogen-bonding sites on the "central ions". Fully optimized geometries and stabilization energies of these cluster ions have been predicted using ab initio molecular orbital methods. The experimental findings are in very good agreement with the calculated results.

AB - Ammonia, monomethylamine (MMA), dimethylamine (DMA), and trimethylamine (TMA) clusters, formed in a supersonic expansion, were investigated using a multiphoton ionization time-of-flight mass spectrometer. The observed major product ions resulting from prompt fragmentation following ionization are (NH3)nH+, (CH3NH2)nH+, [(CH3)2NH]nH+, and [(CH3)3N]nH+. Detection of stable CH2=NH2+ and (CH2=NH-CH3)+ immonium ions and other fragments provides evidence for molecular rearrangement and fragmentation within our observable time windows. Anomalously large relative intensities observed for (NH3)5H+, (CH3NH2)4H+, [(CH3)2NH]3H+, and [(CH3)3N]2H+ are attributed to enhanced stability of the cluster ions, due to the complete filling of hydrogen-bonding sites on the "central ions". Fully optimized geometries and stabilization energies of these cluster ions have been predicted using ab initio molecular orbital methods. The experimental findings are in very good agreement with the calculated results.

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