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Quantum chemical description of the molecular vibration spectra. treatment of the three-membered N-heterocycles
المصدر
Mu'tah Journal for Research and Studies : Natural and Applied Sciences Series
العدد
المجلد 12، العدد 3 (30 إبريل/نيسان 1997)، ص ص. 21-32، 12ص.
الناشر
تاريخ النشر
1997-04-30
دولة النشر
الأردن
عدد الصفحات
12
التخصصات الرئيسية
الملخص EN
The Vibration frequencies and IR adsorption intensities were calculated for cyclopropene, 1a-azirine, 2Hazirine and aziridine, applying the MINDO/3-Forces and ab into methods, and assigned to their corresponding symmetry representations and valance modes, for cyclopropene a C=C stretch, V3, rather than a ring results, of wi berg et al, for 1a-airing, it is found that symmetric C-H frequency os higher than the antisymmetric, The Nh stretch vibration is completely localized at the H n atom (App.) =0.95).
This hand shows the highest absorption frequency in the spectrum.
For 2a-azirine, the =C-H stretch vibration is localized at the H atom,.
Further, the frequency of the symmetric CH2 (a) stretch is approximately equal to that the CH2 (a') stretch is approximately equal to that of the CH2 antisymmetric.
As for aziridine, the V1 (a') Nh stretch shows the shows the highest absorption intensity value.
It sl so shows a significant contribution of motion from the CH' atoms, V2 (a') and V3 (a') are Ch stretch and not CH2 stretch vin rations.
Due to the close values of frequencies it is predicted that V3 (a) for Ch and V11 (a') for CH2 should overlap when measured experimentally
نمط استشهاد جمعية علماء النفس الأمريكية (APA)
al-Saidi, Shadha F.& Shanshal, Muthanna. 1997. Quantum chemical description of the molecular vibration spectra. treatment of the three-membered N-heterocycles. Mu'tah Journal for Research and Studies : Natural and Applied Sciences Series،Vol. 12, no. 3, pp.21-32.
https://search.emarefa.net/detail/BIM-395054
نمط استشهاد الجمعية الأمريكية للغات الحديثة (MLA)
al-Saidi, Shadha F.& Shanshal, Muthanna. Quantum chemical description of the molecular vibration spectra. treatment of the three-membered N-heterocycles. Mu'tah Journal for Research and Studies : Natural and Applied Sciences Series Vol. 12, no. 3 (Apr. 1997), pp.21-32.
https://search.emarefa.net/detail/BIM-395054
نمط استشهاد الجمعية الطبية الأمريكية (AMA)
al-Saidi, Shadha F.& Shanshal, Muthanna. Quantum chemical description of the molecular vibration spectra. treatment of the three-membered N-heterocycles. Mu'tah Journal for Research and Studies : Natural and Applied Sciences Series. 1997. Vol. 12, no. 3, pp.21-32.
https://search.emarefa.net/detail/BIM-395054
نوع البيانات
مقالات
لغة النص
الإنجليزية
الملاحظات
Text in English ; abstracts in English and Arabic.
رقم السجل
BIM-395054
قاعدة معامل التأثير والاستشهادات المرجعية العربي "ارسيف Arcif"
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