Dissociation dynamics and stability of cyclopentoxy and cyclopentoxide

Leah S. Alconcel; Robert E. Continetti

doi:10.1016/S0009-2614(02)01633-0

Dissociation dynamics and stability of cyclopentoxy and cyclopentoxide

Leah S. Alconcel, Robert E. Continetti^*

^*Corresponding author for this work

Metallurgy and Materials

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

12 Citations (Scopus)

Abstract

Cyclopentoxide c-C₅H₉O^- undergoes photodetachment to stable cyclopentoxy or the ring-opened 5-oxo-pentan-1-yl radical and dissociative photodetachment, yielding C₃H₅O and C₂H₄ photofragments, at both 532 and 355 nm. The adiabatic electron affinity of c-C₅H₉O^- is estimated from the experimental results and ab intio calculations to be 1.5 ± 0.1 eV. The results show that c-C₅H₉O^- is stable relative to dissociation into C₃H₅O^- and C₂H₄ by 1.23 ± 0.07 eV, whereas c-C₅H₉O is unstable relative to C₃H₅O and C₂H₄ by -0.12 ± 0.12 eV. These results are discussed in terms of the factors affecting the stability of cyclic alkoxides and the corresponding alkoxy radicals.

Original language	English
Pages (from-to)	642-649
Number of pages	8
Journal	Chemical Physics Letters
Volume	366
Issue number	5-6
DOIs	https://doi.org/10.1016/S0009-2614(02)01633-0
Publication status	Published - 20 Dec 2002

Bibliographical note

Funding Information:
This work was supported by the Chemistry Division of the National Science Foundation (CHE-0136195) and a grant of computer time from the National Energy Research Scientific Computing Center.

ASJC Scopus subject areas

Physics and Astronomy(all)
Physical and Theoretical Chemistry

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10.1016/S0009-2614(02)01633-0

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@article{250cda7f2b7e48ed8920d5ab3f643e15,

title = "Dissociation dynamics and stability of cyclopentoxy and cyclopentoxide",

abstract = "Cyclopentoxide c-C5H9O- undergoes photodetachment to stable cyclopentoxy or the ring-opened 5-oxo-pentan-1-yl radical and dissociative photodetachment, yielding C3H5O and C2H4 photofragments, at both 532 and 355 nm. The adiabatic electron affinity of c-C5H9O- is estimated from the experimental results and ab intio calculations to be 1.5 ± 0.1 eV. The results show that c-C5H9O- is stable relative to dissociation into C3H5O- and C2H4 by 1.23 ± 0.07 eV, whereas c-C5H9O is unstable relative to C3H5O and C2H4 by -0.12 ± 0.12 eV. These results are discussed in terms of the factors affecting the stability of cyclic alkoxides and the corresponding alkoxy radicals.",

author = "Alconcel, {Leah S.} and Continetti, {Robert E.}",

note = "Funding Information: This work was supported by the Chemistry Division of the National Science Foundation (CHE-0136195) and a grant of computer time from the National Energy Research Scientific Computing Center.",

year = "2002",

month = dec,

day = "20",

doi = "10.1016/S0009-2614(02)01633-0",

language = "English",

volume = "366",

pages = "642--649",

journal = "Chemical Physics Letters",

issn = "0009-2614",

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number = "5-6",

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TY - JOUR

T1 - Dissociation dynamics and stability of cyclopentoxy and cyclopentoxide

AU - Alconcel, Leah S.

AU - Continetti, Robert E.

N1 - Funding Information: This work was supported by the Chemistry Division of the National Science Foundation (CHE-0136195) and a grant of computer time from the National Energy Research Scientific Computing Center.

PY - 2002/12/20

Y1 - 2002/12/20

N2 - Cyclopentoxide c-C5H9O- undergoes photodetachment to stable cyclopentoxy or the ring-opened 5-oxo-pentan-1-yl radical and dissociative photodetachment, yielding C3H5O and C2H4 photofragments, at both 532 and 355 nm. The adiabatic electron affinity of c-C5H9O- is estimated from the experimental results and ab intio calculations to be 1.5 ± 0.1 eV. The results show that c-C5H9O- is stable relative to dissociation into C3H5O- and C2H4 by 1.23 ± 0.07 eV, whereas c-C5H9O is unstable relative to C3H5O and C2H4 by -0.12 ± 0.12 eV. These results are discussed in terms of the factors affecting the stability of cyclic alkoxides and the corresponding alkoxy radicals.

AB - Cyclopentoxide c-C5H9O- undergoes photodetachment to stable cyclopentoxy or the ring-opened 5-oxo-pentan-1-yl radical and dissociative photodetachment, yielding C3H5O and C2H4 photofragments, at both 532 and 355 nm. The adiabatic electron affinity of c-C5H9O- is estimated from the experimental results and ab intio calculations to be 1.5 ± 0.1 eV. The results show that c-C5H9O- is stable relative to dissociation into C3H5O- and C2H4 by 1.23 ± 0.07 eV, whereas c-C5H9O is unstable relative to C3H5O and C2H4 by -0.12 ± 0.12 eV. These results are discussed in terms of the factors affecting the stability of cyclic alkoxides and the corresponding alkoxy radicals.

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U2 - 10.1016/S0009-2614(02)01633-0

DO - 10.1016/S0009-2614(02)01633-0

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AN - SCOPUS:0037146732

SN - 0009-2614

VL - 366

SP - 642

EP - 649

JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 5-6

ER -

Dissociation dynamics and stability of cyclopentoxy and cyclopentoxide

Abstract

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ASJC Scopus subject areas

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