Mass spectrometry and photoelectron spectroscopy of o-, m-, and p-ternhenyl cluster anions: The effect of molecular shape on molecular assembly and ion core character

Masaaki Mitsui, Naoto Ando, Atsushi Nakajima

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Abstract

Mass spectrometry and photoelectron spectroscopy of o-, m-, and p-terphenyl cluster anions, (0-TP)n- (n = 2-100), (m-TP) n- (n = 2-100), and (p-TP)n- (n = 1-100), respectively, are conducted to investigate the effect of molecular shape on the molecular aggregation form and the resultant ion core character of the clusters. For (o-TP)n- and (m-TP)n-, neither magic numbers nor discernible isomers are observed throughout the size range. Furthermore, their vertical detachment energies (VDEs) increase up to large n and depend linearly on n-1/3, implying that they possess a three-dimensional (3D), highly reorganized structure encompassing a monomelic anion core. For (p-TP)n-, in contrast, prominent magic numbers of n = 5, 7, 10, 12, and 14 are observed, and the VDEs show pronounced irregular shifts below n = 10, while they remain constant above n = 14 (isomer A). These results can be rationalized with two-dimensional (2D) orderings of p-TP molecules and different types of 2D shell closure at n = 7 and 14, the monomelic and multimeric anion core, respectively. Above n = 16, the new feature (isomer B) starts to appear at the higher binding side of isomer A, and it becomes dominant with n, while isomer A gradually disappears for larger sizes. In contrast to isomer A, the VDEs of isomer B continuously increase with the cluster size. This characteristic size evolution suggests that the transition to modified 2D aggregation forms from 2D ones occurs at around n = 20.

Original languageEnglish
Pages (from-to)5628-5635
Number of pages8
JournalJournal of Physical Chemistry A
Volume112
Issue number25
DOIs
Publication statusPublished - 2008 Jun 26

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Photoelectron spectroscopy
Isomers
Anions
Mass spectrometry
mass spectroscopy
isomers
assembly
photoelectron spectroscopy
Ions
anions
spectroscopy
detachment
ions
Agglomeration
terphenyls
closures
energy
Molecules
shift
molecules

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

Cite this

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title = "Mass spectrometry and photoelectron spectroscopy of o-, m-, and p-ternhenyl cluster anions: The effect of molecular shape on molecular assembly and ion core character",
abstract = "Mass spectrometry and photoelectron spectroscopy of o-, m-, and p-terphenyl cluster anions, (0-TP)n- (n = 2-100), (m-TP) n- (n = 2-100), and (p-TP)n- (n = 1-100), respectively, are conducted to investigate the effect of molecular shape on the molecular aggregation form and the resultant ion core character of the clusters. For (o-TP)n- and (m-TP)n-, neither magic numbers nor discernible isomers are observed throughout the size range. Furthermore, their vertical detachment energies (VDEs) increase up to large n and depend linearly on n-1/3, implying that they possess a three-dimensional (3D), highly reorganized structure encompassing a monomelic anion core. For (p-TP)n-, in contrast, prominent magic numbers of n = 5, 7, 10, 12, and 14 are observed, and the VDEs show pronounced irregular shifts below n = 10, while they remain constant above n = 14 (isomer A). These results can be rationalized with two-dimensional (2D) orderings of p-TP molecules and different types of 2D shell closure at n = 7 and 14, the monomelic and multimeric anion core, respectively. Above n = 16, the new feature (isomer B) starts to appear at the higher binding side of isomer A, and it becomes dominant with n, while isomer A gradually disappears for larger sizes. In contrast to isomer A, the VDEs of isomer B continuously increase with the cluster size. This characteristic size evolution suggests that the transition to modified 2D aggregation forms from 2D ones occurs at around n = 20.",
author = "Masaaki Mitsui and Naoto Ando and Atsushi Nakajima",
year = "2008",
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T1 - Mass spectrometry and photoelectron spectroscopy of o-, m-, and p-ternhenyl cluster anions

T2 - The effect of molecular shape on molecular assembly and ion core character

AU - Mitsui, Masaaki

AU - Ando, Naoto

AU - Nakajima, Atsushi

PY - 2008/6/26

Y1 - 2008/6/26

N2 - Mass spectrometry and photoelectron spectroscopy of o-, m-, and p-terphenyl cluster anions, (0-TP)n- (n = 2-100), (m-TP) n- (n = 2-100), and (p-TP)n- (n = 1-100), respectively, are conducted to investigate the effect of molecular shape on the molecular aggregation form and the resultant ion core character of the clusters. For (o-TP)n- and (m-TP)n-, neither magic numbers nor discernible isomers are observed throughout the size range. Furthermore, their vertical detachment energies (VDEs) increase up to large n and depend linearly on n-1/3, implying that they possess a three-dimensional (3D), highly reorganized structure encompassing a monomelic anion core. For (p-TP)n-, in contrast, prominent magic numbers of n = 5, 7, 10, 12, and 14 are observed, and the VDEs show pronounced irregular shifts below n = 10, while they remain constant above n = 14 (isomer A). These results can be rationalized with two-dimensional (2D) orderings of p-TP molecules and different types of 2D shell closure at n = 7 and 14, the monomelic and multimeric anion core, respectively. Above n = 16, the new feature (isomer B) starts to appear at the higher binding side of isomer A, and it becomes dominant with n, while isomer A gradually disappears for larger sizes. In contrast to isomer A, the VDEs of isomer B continuously increase with the cluster size. This characteristic size evolution suggests that the transition to modified 2D aggregation forms from 2D ones occurs at around n = 20.

AB - Mass spectrometry and photoelectron spectroscopy of o-, m-, and p-terphenyl cluster anions, (0-TP)n- (n = 2-100), (m-TP) n- (n = 2-100), and (p-TP)n- (n = 1-100), respectively, are conducted to investigate the effect of molecular shape on the molecular aggregation form and the resultant ion core character of the clusters. For (o-TP)n- and (m-TP)n-, neither magic numbers nor discernible isomers are observed throughout the size range. Furthermore, their vertical detachment energies (VDEs) increase up to large n and depend linearly on n-1/3, implying that they possess a three-dimensional (3D), highly reorganized structure encompassing a monomelic anion core. For (p-TP)n-, in contrast, prominent magic numbers of n = 5, 7, 10, 12, and 14 are observed, and the VDEs show pronounced irregular shifts below n = 10, while they remain constant above n = 14 (isomer A). These results can be rationalized with two-dimensional (2D) orderings of p-TP molecules and different types of 2D shell closure at n = 7 and 14, the monomelic and multimeric anion core, respectively. Above n = 16, the new feature (isomer B) starts to appear at the higher binding side of isomer A, and it becomes dominant with n, while isomer A gradually disappears for larger sizes. In contrast to isomer A, the VDEs of isomer B continuously increase with the cluster size. This characteristic size evolution suggests that the transition to modified 2D aggregation forms from 2D ones occurs at around n = 20.

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