Photoelectron spectroscopy of simple amides and carboxylic acids

C. R. Brundle; D. W. Turner; M. B. Robin; H. Basch

doi:10.1016/0009-2614(69)80233-2

Photoelectron spectroscopy of simple amides and carboxylic acids

C. R. Brundle, D. W. Turner, M. B. Robin, H. Basch

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Abstract

The accidental near-degeneracies of the n_o (oxygen nonbonding) and π₂ (antisymmetric pi) MO's of formamide and formic acid have been investigated using photoelectron spectroscopy and SCF calculations of the successive ionization potentials. It is concluded that ionization from n_o preceeds that from π₂ in both of these compounds, but that the reverse order obtains in M-methylformamide and N,N-dimethylformamide. The close correspondence between the profiles of the n_o and π₂ photoelectron bands and the Rydberg band profiles observed optically is used in making a more detailed assignment of the optical bands. All ionization potentials below 20 eV are reported for each of the four compounds.

Original language	English
Pages (from-to)	292-296
Number of pages	5
Journal	Chemical Physics Letters
Volume	3
Issue number	5
DOIs	https://doi.org/10.1016/0009-2614(69)80233-2
State	Published - May 1969
Externally published	Yes

Bibliographical note

Funding Information:
It is a pleasure to acknowledge the help of Mr. N. A. Kuebler with several of the experimental details, and the Scientific Research Council for a grant to one of US (CR Brundle).

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10.1016/0009-2614(69)80233-2

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title = "Photoelectron spectroscopy of simple amides and carboxylic acids",

abstract = "The accidental near-degeneracies of the no (oxygen nonbonding) and π2 (antisymmetric pi) MO's of formamide and formic acid have been investigated using photoelectron spectroscopy and SCF calculations of the successive ionization potentials. It is concluded that ionization from no preceeds that from π2 in both of these compounds, but that the reverse order obtains in M-methylformamide and N,N-dimethylformamide. The close correspondence between the profiles of the no and π2 photoelectron bands and the Rydberg band profiles observed optically is used in making a more detailed assignment of the optical bands. All ionization potentials below 20 eV are reported for each of the four compounds.",

author = "Brundle, {C. R.} and Turner, {D. W.} and Robin, {M. B.} and H. Basch",

note = "Funding Information: It is a pleasure to acknowledge the help of Mr. N. A. Kuebler with several of the experimental details, and the Scientific Research Council for a grant to one of US (CR Brundle).",

year = "1969",

month = may,

doi = "10.1016/0009-2614(69)80233-2",

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TY - JOUR

T1 - Photoelectron spectroscopy of simple amides and carboxylic acids

AU - Brundle, C. R.

AU - Turner, D. W.

AU - Robin, M. B.

AU - Basch, H.

N1 - Funding Information: It is a pleasure to acknowledge the help of Mr. N. A. Kuebler with several of the experimental details, and the Scientific Research Council for a grant to one of US (CR Brundle).

PY - 1969/5

Y1 - 1969/5

N2 - The accidental near-degeneracies of the no (oxygen nonbonding) and π2 (antisymmetric pi) MO's of formamide and formic acid have been investigated using photoelectron spectroscopy and SCF calculations of the successive ionization potentials. It is concluded that ionization from no preceeds that from π2 in both of these compounds, but that the reverse order obtains in M-methylformamide and N,N-dimethylformamide. The close correspondence between the profiles of the no and π2 photoelectron bands and the Rydberg band profiles observed optically is used in making a more detailed assignment of the optical bands. All ionization potentials below 20 eV are reported for each of the four compounds.

AB - The accidental near-degeneracies of the no (oxygen nonbonding) and π2 (antisymmetric pi) MO's of formamide and formic acid have been investigated using photoelectron spectroscopy and SCF calculations of the successive ionization potentials. It is concluded that ionization from no preceeds that from π2 in both of these compounds, but that the reverse order obtains in M-methylformamide and N,N-dimethylformamide. The close correspondence between the profiles of the no and π2 photoelectron bands and the Rydberg band profiles observed optically is used in making a more detailed assignment of the optical bands. All ionization potentials below 20 eV are reported for each of the four compounds.

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JO - Chemical Physics Letters

JF - Chemical Physics Letters

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Photoelectron spectroscopy of simple amides and carboxylic acids

Abstract

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