Electron attachment time-of-flight mass spectrometry reveals fcc bulk-like packing in CO2 aggregates

Oddur Ingolfsson; Alec M. Wodtke

doi:10.1016/S0009-2614(02)00763-7

Electron attachment time-of-flight mass spectrometry reveals fcc bulk-like packing in CO₂ aggregates

Oddur Ingolfsson, Alec M. Wodtke^*

^*Corresponding author for this work

Faculty of Physical Sciences

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

11 Citations (Scopus)

Abstract

Electron attachment time-of-flight mass spectrometry reveals geometrical shell closings in (CO₂)_70≤N≤350 van der Waals aggregates. Quantitative structural parameters obtained from the observed geometrical shell closing pattern are compared to theory. These parameters are consistent with bulk-like distorted face-centered-cubic (fcc) packing of CO₂ aggregates in this size range. A magic number is seen in the mass spectrum at N = 116 which was previously shown to result from a nearly spherical object with bulk-like fcc packing. These results confirm that the critical value for the cluster-to-bulk packing transition lies below N ∼ 100, in qualitative aggreement with prior experimental and theoretical work.

Original language	English
Pages (from-to)	415-421
Number of pages	7
Journal	Chemical Physics Letters
Volume	360
Issue number	5-6
DOIs	https://doi.org/10.1016/S0009-2614(02)00763-7
Publication status	Published - 17 Jul 2002

Bibliographical note

Funding Information:
This work was partially supported by a grant from the National Institutes of Health under grant number 5R21HG02023-02 and National Science foundation grant number CHE-0135581. The authors would like to express thanks to Dr. Udo Buck for providing a manuscript of work not yet published and access to details of his data analysis.

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10.1016/S0009-2614(02)00763-7

Cite this

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title = "Electron attachment time-of-flight mass spectrometry reveals fcc bulk-like packing in CO2 aggregates",

abstract = "Electron attachment time-of-flight mass spectrometry reveals geometrical shell closings in (CO2)70≤N≤350 van der Waals aggregates. Quantitative structural parameters obtained from the observed geometrical shell closing pattern are compared to theory. These parameters are consistent with bulk-like distorted face-centered-cubic (fcc) packing of CO2 aggregates in this size range. A magic number is seen in the mass spectrum at N = 116 which was previously shown to result from a nearly spherical object with bulk-like fcc packing. These results confirm that the critical value for the cluster-to-bulk packing transition lies below N ∼ 100, in qualitative aggreement with prior experimental and theoretical work.",

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AU - Wodtke, Alec M.

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AB - Electron attachment time-of-flight mass spectrometry reveals geometrical shell closings in (CO2)70≤N≤350 van der Waals aggregates. Quantitative structural parameters obtained from the observed geometrical shell closing pattern are compared to theory. These parameters are consistent with bulk-like distorted face-centered-cubic (fcc) packing of CO2 aggregates in this size range. A magic number is seen in the mass spectrum at N = 116 which was previously shown to result from a nearly spherical object with bulk-like fcc packing. These results confirm that the critical value for the cluster-to-bulk packing transition lies below N ∼ 100, in qualitative aggreement with prior experimental and theoretical work.

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