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Triplet states of the amide group. Trapped electron spectra of formamide and related molecules

Staley, Ralph H. and Harding, Lawrence B. and Goddard, William A., III and Beauchamp, J. L. (1975) Triplet states of the amide group. Trapped electron spectra of formamide and related molecules. Chemical Physics Letters, 36 (5). pp. 589-593. ISSN 0009-2614. https://resolver.caltech.edu/CaltechAUTHORS:20210702-173502702

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Abstract

Trapped electron (TE) spectra are obtained using ion cyclotron resonance detection of scavenged electrons. The lowest singlet-triplet transitions, 3(n→π*), in formamide (HCONH_2) and N,N-dimethyl formamide (HCONMe_2) are found at vertical energies of 5.30 and 5.00 eV, respectively. An unresolved band containing the 3(π→π*) and 3(n→3s) states appears at higher energies, centered at 6.60 and 6.00 eV, respectively. The TE spectra of formaldehyde (HCHO), acetaldehyde (MeCHO) and acetone (Me2CO) are obtained for comparison and are used along with results from ab initio theoretical calculations in establishing assignments. Singlet-triplet transitions dominate the spectra of all of these carbonyl containing molecules, to the exclusion of low lying singlet-singlet transitions. This is in agreement with other TE spectra and the expectation that (dσ/dE) will be higher near threshold for singlet-triplet as compared to singlet-singlet transitions.


Item Type:Article
Related URLs:
URLURL TypeDescription
https://doi.org/10.1016/0009-2614(75)85345-0DOIArticle
ORCID:
AuthorORCID
Goddard, William A., III0000-0003-0097-5716
Beauchamp, J. L.0000-0001-8839-4822
Additional Information:© 1975 Published by Elsevier B.V. Received 9 July 1975. This research was supported in part by the United States Energy Research and Development Administration under Grant No. AT(04-03)767-8. The instrument used in these studies was funded by the National Science Foundation under Grant No. NSF-GP-18383.
Funders:
Funding AgencyGrant Number
NSFGP-18383
Atomic Energy CommissionAT(04-03)767-8
Camille and Henry Dreyfus FoundationUNSPECIFIED
Earle C. Anthony FoundationUNSPECIFIED
Blanche Mowrer Memorial FundUNSPECIFIED
Other Numbering System:
Other Numbering System NameOther Numbering System ID
WAG80
Arthur Amos Noyes Laboratory of Chemical Physics5134
Issue or Number:5
Record Number:CaltechAUTHORS:20210702-173502702
Persistent URL:https://resolver.caltech.edu/CaltechAUTHORS:20210702-173502702
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:109717
Collection:CaltechAUTHORS
Deposited By: Donna Wrublewski
Deposited On:02 Jul 2021 20:00
Last Modified:06 Jul 2021 22:09

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