Experimental and theoretical investigations of the molecular structure, the spectroscopic properties and TD-DFT analysis of a new semiconductor hybrid based iron (III)
المؤلفون المشاركون
Jilali, Aishah
Allush, Salim
Hamdi, Basmah
Zuwari, Rida
المصدر
Journal of Saudi Chemical Society
العدد
المجلد 23، العدد 5 (31 يوليو/تموز 2019)، ص ص. 600-611، 12ص.
الناشر
تاريخ النشر
2019-07-31
دولة النشر
السعودية
عدد الصفحات
12
التخصصات الرئيسية
الموضوعات
الملخص EN
In this work, a new hybrid material (C5H6N2Cl)2[FeCl4].Cl abbreviated (CAP)2[FeCl4].Cl was prepared using room temperature slow evaporation technique.
The X-ray diffraction analysis revealed that the compound is crystallized in the centrosymmetric space group P21/c of the monoclinic system.
The crystallographic network consists of an Fe(III) ion located on an inversion center and coordinated by four chlorine, isolated Cl– and two (CAP)+ protonated cations linked by N–H...Cl and C–H...Cl hydrogen bonds to form a zero-dimensional network.
Hirshfeld surface analysis was used to analyze intermolecular interactions present in the crystal structure.
The vibrational properties were inspected by means of Infra-Red absorption and Raman diffusion spectroscopy techniques.
In addition, theoretical calculations based on the DFT/B3LYP/LanL2DZ method and the time-dependent density functional theory (TD–DFT) were performed in order to gain more information and help in the examination of over-all properties of the title compound.
Good and interesting experimental findings were presented and good consistency was found with the calculated results.
نمط استشهاد جمعية علماء النفس الأمريكية (APA)
Jilali, Aishah& Allush, Salim& Hamdi, Basmah& Zuwari, Rida. 2019. Experimental and theoretical investigations of the molecular structure, the spectroscopic properties and TD-DFT analysis of a new semiconductor hybrid based iron (III). Journal of Saudi Chemical Society،Vol. 23, no. 5, pp.600-611.
https://search.emarefa.net/detail/BIM-889260
نمط استشهاد الجمعية الأمريكية للغات الحديثة (MLA)
Jilali, Aishah…[et al.]. Experimental and theoretical investigations of the molecular structure, the spectroscopic properties and TD-DFT analysis of a new semiconductor hybrid based iron (III). Journal of Saudi Chemical Society Vol. 23, no. 5 (Jul. 2019), pp.600-611.
https://search.emarefa.net/detail/BIM-889260
نمط استشهاد الجمعية الطبية الأمريكية (AMA)
Jilali, Aishah& Allush, Salim& Hamdi, Basmah& Zuwari, Rida. Experimental and theoretical investigations of the molecular structure, the spectroscopic properties and TD-DFT analysis of a new semiconductor hybrid based iron (III). Journal of Saudi Chemical Society. 2019. Vol. 23, no. 5, pp.600-611.
https://search.emarefa.net/detail/BIM-889260
نوع البيانات
مقالات
لغة النص
الإنجليزية
الملاحظات
Includes bibliographical references : p. 610-611
رقم السجل
BIM-889260
قاعدة معامل التأثير والاستشهادات المرجعية العربي "ارسيف Arcif"
أضخم قاعدة بيانات عربية للاستشهادات المرجعية للمجلات العلمية المحكمة الصادرة في العالم العربي
تقوم هذه الخدمة بالتحقق من التشابه أو الانتحال في الأبحاث والمقالات العلمية والأطروحات الجامعية والكتب والأبحاث باللغة العربية، وتحديد درجة التشابه أو أصالة الأعمال البحثية وحماية ملكيتها الفكرية. تعرف اكثر