ELECTRONIC-STRUCTURE OF HETEROAROMATIC MOLECULES - ABINITIO CALCULATIONS AND PHOTOELECTRON-SPECTRA FOR ISOMERIC-OXAZOLES AND SOME ISOMERIC-OXADIAZOLES
The UV photoelectron spectra are reported for isoxazole and 1,3,4-oxadiazole (He(I) region), oxazole and 1,2,5-oxadiazole (He(I) and He(II) regions). Marked fine structure is apparent on some of the spectra. The spectra have been assigned on the basis of ab initio calculations, and by comparison wit...
| Main Authors: | , , |
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| Format: | Journal article |
| Language: | English |
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1977
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| _version_ | 1797071187642155008 |
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| author | Palmer, M Findlay, R Egdell, R |
| author_facet | Palmer, M Findlay, R Egdell, R |
| author_sort | Palmer, M |
| collection | OXFORD |
| description | The UV photoelectron spectra are reported for isoxazole and 1,3,4-oxadiazole (He(I) region), oxazole and 1,2,5-oxadiazole (He(I) and He(II) regions). Marked fine structure is apparent on some of the spectra. The spectra have been assigned on the basis of ab initio calculations, and by comparison with the azoles and thiazoles. Variations in the lone pairs levels at O-, S- and N- across the azoles, oxazoles, thiazoles and azines are discussed. It is suggested that "through-bond" interactions are more widespread in the azines than previously noted. © 1977. |
| first_indexed | 2024-03-06T22:49:41Z |
| format | Journal article |
| id | oxford-uuid:5e5fc892-24fb-4552-ba00-c2290a8ef770 |
| institution | University of Oxford |
| language | English |
| last_indexed | 2024-03-06T22:49:41Z |
| publishDate | 1977 |
| record_format | dspace |
| spelling | oxford-uuid:5e5fc892-24fb-4552-ba00-c2290a8ef7702022-03-26T17:40:17ZELECTRONIC-STRUCTURE OF HETEROAROMATIC MOLECULES - ABINITIO CALCULATIONS AND PHOTOELECTRON-SPECTRA FOR ISOMERIC-OXAZOLES AND SOME ISOMERIC-OXADIAZOLESJournal articlehttp://purl.org/coar/resource_type/c_dcae04bcuuid:5e5fc892-24fb-4552-ba00-c2290a8ef770EnglishSymplectic Elements at Oxford1977Palmer, MFindlay, REgdell, RThe UV photoelectron spectra are reported for isoxazole and 1,3,4-oxadiazole (He(I) region), oxazole and 1,2,5-oxadiazole (He(I) and He(II) regions). Marked fine structure is apparent on some of the spectra. The spectra have been assigned on the basis of ab initio calculations, and by comparison with the azoles and thiazoles. Variations in the lone pairs levels at O-, S- and N- across the azoles, oxazoles, thiazoles and azines are discussed. It is suggested that "through-bond" interactions are more widespread in the azines than previously noted. © 1977. |
| spellingShingle | Palmer, M Findlay, R Egdell, R ELECTRONIC-STRUCTURE OF HETEROAROMATIC MOLECULES - ABINITIO CALCULATIONS AND PHOTOELECTRON-SPECTRA FOR ISOMERIC-OXAZOLES AND SOME ISOMERIC-OXADIAZOLES |
| title | ELECTRONIC-STRUCTURE OF HETEROAROMATIC MOLECULES - ABINITIO CALCULATIONS AND PHOTOELECTRON-SPECTRA FOR ISOMERIC-OXAZOLES AND SOME ISOMERIC-OXADIAZOLES |
| title_full | ELECTRONIC-STRUCTURE OF HETEROAROMATIC MOLECULES - ABINITIO CALCULATIONS AND PHOTOELECTRON-SPECTRA FOR ISOMERIC-OXAZOLES AND SOME ISOMERIC-OXADIAZOLES |
| title_fullStr | ELECTRONIC-STRUCTURE OF HETEROAROMATIC MOLECULES - ABINITIO CALCULATIONS AND PHOTOELECTRON-SPECTRA FOR ISOMERIC-OXAZOLES AND SOME ISOMERIC-OXADIAZOLES |
| title_full_unstemmed | ELECTRONIC-STRUCTURE OF HETEROAROMATIC MOLECULES - ABINITIO CALCULATIONS AND PHOTOELECTRON-SPECTRA FOR ISOMERIC-OXAZOLES AND SOME ISOMERIC-OXADIAZOLES |
| title_short | ELECTRONIC-STRUCTURE OF HETEROAROMATIC MOLECULES - ABINITIO CALCULATIONS AND PHOTOELECTRON-SPECTRA FOR ISOMERIC-OXAZOLES AND SOME ISOMERIC-OXADIAZOLES |
| title_sort | electronic structure of heteroaromatic molecules abinitio calculations and photoelectron spectra for isomeric oxazoles and some isomeric oxadiazoles |
| work_keys_str_mv | AT palmerm electronicstructureofheteroaromaticmoleculesabinitiocalculationsandphotoelectronspectraforisomericoxazolesandsomeisomericoxadiazoles AT findlayr electronicstructureofheteroaromaticmoleculesabinitiocalculationsandphotoelectronspectraforisomericoxazolesandsomeisomericoxadiazoles AT egdellr electronicstructureofheteroaromaticmoleculesabinitiocalculationsandphotoelectronspectraforisomericoxazolesandsomeisomericoxadiazoles |