Uv photoelectron studies of biological pyrimidines: The electronic structure of uracil
| Autor: | A. Padva, Pierre R. LeBreton, J.N.A. Ridyard, Robert J. Dinerstein |
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| Rok vydání: | 1974 |
| Předmět: |
Time Factors
Orbital hybridisation Molecular Conformation Biophysics Molecular orbital diagram Electrons Biochemistry CNDO/2 Drug Stability Computational chemistry Physics::Atomic and Molecular Clusters Molecular orbital Uracil Molecular Biology Chemistry Spectrum Analysis Temperature Molecular orbital theory Cell Biology Crystallography Linear combination of atomic orbitals Thermodynamics Spectrophotometry Ultraviolet Valence bond theory Astrophysics::Earth and Planetary Astrophysics Natural bond orbital |
| Zdroj: | Biochemical and Biophysical Research Communications. 60:1262-1268 |
| ISSN: | 0006-291X |
| DOI: | 10.1016/0006-291x(74)90334-9 |
| Popis: | The photoelectron spectrum of uracil has been measured in the gas phase. A qualitative interpretation of the spectrum indicates that the first and third highest occupied orbitals in uracil are π orbitals, while the second and fourth highest orbitals are lone-pair orbitals associated with oxygen atoms. This ordering is consistent with that predicted by CNDO and INDO molecular orbital calculations. |
| Databáze: | OpenAIRE |
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