Results concerning the electronic structure of five cytosine derivatives obtained by the NMR-NQR double resonance technique on nitrogen nuclei are reported. NMR-NQR spectra of the five cytosine derivatives were taken at 120 K. The influence of substitution at the 4-N position of the cytosine ring wa
NQR Studies of the Electronic Structure of Arylcytosines and Arylisocytosines
✍ Scribed by B. Nogaj; A. Glaser; J. Spychała
- Publisher
- John Wiley and Sons
- Year
- 1996
- Tongue
- English
- Weight
- 205 KB
- Volume
- 34
- Category
- Article
- ISSN
- 0749-1581
No coin nor oath required. For personal study only.
✦ Synopsis
CI NQR spectra of arylcytosines and arylisocytosines were analysed. Chemical parameters of electronic mechanisms were determined and are discussed. On the basis of experimental data the existence of the ortho effect was confirmed by the NQR method. The general conclusion is that the influence of cytosine and isocytosine on the electronic environment of the benzene ring is small.
📜 SIMILAR VOLUMES
It is well known that urea᎐nitrate UN is a white solid complex Ž . prepared by urea with nitric acid, which is thus usually written as U и HNO , U᎐ ᎐urea . ## 3 Now it has widely been applied to fertilizer manufacture, chemical washing, petroleum opening, and other fields in industry because of i
Molecular orbital calculations are reported on the structure and electronic properties of diphenyl sulfide using both semiempirical and ab initio methods. Neither the MNDO nor AM1 methods give satisfactory structures, but better results are obtained with the PM3 method. At the ab initio level, the 4
## KUBLI-GARFIAS, VAZQUEZ, AND MENDIETA with mono-hydroxyl or di-hydroxyl functional groups showed the lowest HOMO values; the highest LUMO values and quasi degeneracy of HOMO y 1 and LUMO q 1. The HOMO and LUMO of etiocholane and for the mono and di-hydroxyl structures were observed diffused thro
The structural and electronic properties of sodium adsorbed in the b-cage of zeolite A have been studied by using the extended Hu È ckel method and cluster model. The b-cage, which consists of Si 12 Al 12 O 48 , is one of the structural units of zeolite A. The site preference for a Na adatom and sev