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Abstract
The electronic state and photoionization spectroscopy of a series of acetate esters: methyl acetate, isopropyl acetate, butyl acetate and pentyl acetate as well as two propionates: methyl propionate and ethyl propionate, have been determined using vacuum-ultraviolet photoelectron spectroscopy. These experimental investigations are complemented by ab initio calculations. The measured first adiabatic and vertical ionization energies were determined as: 10.21 and 10.45 eV for methyl acetate, 9.99 and 10.22 eV for isopropyl acetate, 10.07 and 10.26 eV for butyl acetate, 10.01 and 10.22 eV for pentyl acetate, 10.16 and 10.36 eV for methyl propionate and 9.99 and 10.18 eV for ethyl propionate. For the four smaller esters vibrational transitions were calculated and compared with those identified in the photoelectron spectrum, revealing the most distinctive ones to be a Csingle bondO stretch combined with a Cdouble bond; length as m-dashO stretch. The ionization energies of methyl and ethyl esters as well as for a series of formates and acetates were compared showing a clear dependence of the value of the ionization energy on the size of the molecule with very little influence of its conformation.
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Authors (9)
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Michael MacDonald
- d Canadian Light Source Inc.,
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Lucia Zuin
- d Canadian Light Source Inc.,
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Jacques Delwiche
- Université de Liège Département de Chimie,
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Marie-Jeanne Hubin-Franskin
- Université de Liège Département de Chimie,
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Tadeusz Lesniewski
- University of Gdansk, Institute of Experimental Physics, Faculty of Mathematics, Physics and Informatics
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Nigel J. Mason
- The Open University School of Physical Sciences
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Paulo Limão-Vieira
- , Universidade NOVA de Lisboa, Laboratório de Colisões Atómicas e Moleculares, CEFITEC, Departamento de Física, Faculdade de Ciências e Tecnologia,
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Details
- Category:
- Articles
- Type:
- artykuł w czasopiśmie wyróżnionym w JCR
- Published in:
-
JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER
no. 200,
pages 206 - 214,
ISSN: 0022-4073 - Language:
- English
- Publication year:
- 2017
- Bibliographic description:
- Śmiałek-Telega M., Guthmuller J., Macdonald M., Zuin L., Delwiche J., Hubin-Franskin M., Lesniewski T., Mason N., Limão-Vieira P.: Photoelectron spectroscopy of a series of acetate and propionate esters// JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER. -Vol. 200, (2017), s.206-214
- DOI:
- Digital Object Identifier (open in new tab) 10.1016/j.jqsrt.2017.06.018
- Verified by:
- Gdańsk University of Technology
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