Photoelectron spectroscopy of carbonyls. Ureas, uracils, and thymine

Journal Article · Wed Jun 23 04:00:00 EDT 1976 · J. Am. Chem. Soc.; (United States)

DOI:https://doi.org/10.1021/ja00429a013· OSTI ID:7358926

Dougherty, D; Wittel, K; Meeks, J; McGlynn, S P

The photoelectron spectra of the six possible methyl ureas, two acyl ureas, and four uracils have been obtained. Many of the low-energy set of ionization events in these molecules have been assigned empirically on the basis of methylation and other substitution effects. The data are then correlated with CNDO/s MO energies and are compared with other semiempirical and ab initio computational results which are available in the literature.

• Research Organization: Louisiana State Univ., Baton Rouge
• OSTI ID: 7358926
• Journal Information: J. Am. Chem. Soc.; (United States), Journal Name: J. Am. Chem. Soc.; (United States) Vol. 98:13; ISSN JACSA
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400104* -- Spectral Procedures-- (-1987)
400301 -- Organic Chemistry-- Chemical & Physicochemical Properties-- (-1987)
550200 -- Biochemistry
59 BASIC BIOLOGICAL SCIENCES
AMIDES
AZINES
CARBONIC ACID DERIVATIVES
ELECTRON SPECTROSCOPY
ELECTRONIC STRUCTURE
EXTRAPOLATION
HETEROCYCLIC COMPOUNDS
HYDROXY COMPOUNDS
IONIZATION POTENTIAL
NUMERICAL SOLUTION
ORGANIC COMPOUNDS
ORGANIC NITROGEN COMPOUNDS
PHOTOELECTRON SPECTROSCOPY
PYRIMIDINES
SPECTROSCOPY
THYMINE
URACILS
UREA