| 000 | 02420cam a2200349 a 4500 | ||
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| 003 | EG-GiCUC | ||
| 005 | 20250223031233.0 | ||
| 008 | 150530s2014 ua dh f m 000 0 eng d | ||
| 040 |
_aEG-GiCUC _beng _cEG-GiCUC |
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| 041 | 0 | _aeng | |
| 049 | _aDeposite | ||
| 097 | _aM.Sc | ||
| 099 | _aCai01.12.11.M.Sc.2014.Ma.E | ||
| 100 | 0 | _aMahmoud Ahmed Elsayed Noamaan | |
| 245 | 1 | 0 |
_aExperimental and theoretical studies on the electronic spectra and properties of some heterocyclic azides / _cMahmoud Ahmed Elsayed Noamaan ; Supervised R. H. Abu Eittah , Sabry Eltaher Ahmed , Walid Mohamed Ibrahim Hassan |
| 246 | 1 | 5 | _aدراسات تجريبية ونظرية للخواص والأطياف الإلكترونية لبعض مركبات الأزايد غير متجانسة الحلقة |
| 260 |
_aCairo : _bMahmoud Ahmed Elsayed Noamaan , _c2014 |
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| 300 |
_a136 P. : _bcharts , facsimiles ; _c25cm |
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| 502 | _aThesis (M.Sc.) - Cairo University - Faculty of Science - Department of Physical Chemistry | ||
| 520 | _aThe electronic absorption spectra of 2-azido-1,3-benzothiazoles are measured in different solvents and the substituent effects are discussed. The TD-DFT using B3LYP/6-311+G(d,p) method is applied to theoretically predict the electronic transitions of the studied azides and the results were satisfactory. the spectra of the studied compounds have not been reported before; assignments of the observed bands were based on the results of theoretical calculation and not by relative to the comparing the hydrocarbon. The electron correlation energy corrections were introduced by carrying out single-point calculation at the MP2 and CCSD(T) using different basis set. The solvent effect studied by SCRF theory using the polarizable continuum model showed that the relative stability of the tetrazole species over the azide can be maximized vastly by increasing the the position of the azide-tetrazole equilibrium has been discussed. | ||
| 530 | _aIssued also as CD | ||
| 653 | 4 | _aAzide-tetrazole isomerization | |
| 653 | 4 | _aAzidobenzothiazole system | |
| 653 | 4 | _aEffect of the fused benzene ring | |
| 700 | 0 |
_aR. H. Abu Eittah , _eSupervisor |
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| 700 | 0 |
_aSabry Eltaher Ahmed , _eSupervisor |
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| 700 | 0 |
_aWalid Mohamed Ibrahim Hassan , _eSupervisor |
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| 856 | _uhttp://172.23.153.220/th.pdf | ||
| 905 |
_aNazla _eRevisor |
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| 905 |
_aSoheir _eCataloger |
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| 942 |
_2ddc _cTH |
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| 999 |
_c51106 _d51106 |
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