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Electronic Spectra of Isoelectronic Amides, Acids, and Acyl Fluorides

Authors: Harold Basch; M. B. Robin; N. A. Kuebler;

Electronic Spectra of Isoelectronic Amides, Acids, and Acyl Fluorides

Abstract

The first four bands in the gas-phase spectra of amides, carboxylic acids, and acyl fluorides are thought to be n → π*, n → 3s Rydberg, π → π*, and n → 3p Rydberg excitations. That the second and fourth bands are Rydberg, whereas the first and third are valence shell is demonstrated in a comparison of gas-phase and condensed-phase absorption and circular dichroism spectra. All-electron, SCF Gaussian orbital calculations are also presented which qualitatively explain the trends in the spectra of HCOX molecules, and predict several quantities of interest, such as upper-state dipole moments and magnetic transition moments, which have not been measured as yet.

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
179
Top 1%
Top 0.1%
Top 1%
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