A Computational and Structural Database Study of the Metal-Carbene Bond in Groups IA, IIA, and IIIA Imidazol-2-Ylidene Complexes
المؤلف
المصدر
العدد
المجلد 2019، العدد 2019 (31 ديسمبر/كانون الأول 2019)، ص ص. 1-9، 9ص.
الناشر
Hindawi Publishing Corporation
تاريخ النشر
2019-12-24
دولة النشر
مصر
عدد الصفحات
9
التخصصات الرئيسية
الملخص EN
Imidazol-2-ylidenes are important N-heterocyclic carbenes which have become universal ligands in organometallic and coordination chemistry.
Generally classified as σ-donor ligands, these compounds have been used to stabilize various metal complexes which hitherto were less stable in their catalytic processes.
Herein, the number and distribution of group IA, group IIA, and group IIIA metal-imidazol-2-ylidene complexes retrieved from the Cambridge Structural Database (CSD) are assessed.
The data showed that the mean M-Ccarbene bond length increases with increasing ionic size but is similar across each diagonal.
Dominant factors such as Lewis acidity and electrostatic attractions were found to control the bonding modes of the respective ions.
Generally, the metal ions show preference for tetrahedral coordination with larger cations forming complexes with higher coordination numbers.
For their high number of entries (101), tetrahedrally coordinated boron complexes with various electron withdrawing and electron donating groups were studied computationally at the DFT/B3LYP level of theory.
The strength of the B-Ccarbene bond was found to depend on steric interactions between bulky groups on the borenium atom and substituents on the N-positions of the imidazol-2-ylidene ligand.
This observation was further confirmed by estimation of the binding energy, natural charge, and the electron distribution in the B-Ccarbene bond.
نمط استشهاد جمعية علماء النفس الأمريكية (APA)
Tetteh, Samuel. 2019. A Computational and Structural Database Study of the Metal-Carbene Bond in Groups IA, IIA, and IIIA Imidazol-2-Ylidene Complexes. Journal of Chemistry،Vol. 2019, no. 2019, pp.1-9.
https://search.emarefa.net/detail/BIM-1171287
نمط استشهاد الجمعية الأمريكية للغات الحديثة (MLA)
Tetteh, Samuel. A Computational and Structural Database Study of the Metal-Carbene Bond in Groups IA, IIA, and IIIA Imidazol-2-Ylidene Complexes. Journal of Chemistry No. 2019 (2019), pp.1-9.
https://search.emarefa.net/detail/BIM-1171287
نمط استشهاد الجمعية الطبية الأمريكية (AMA)
Tetteh, Samuel. A Computational and Structural Database Study of the Metal-Carbene Bond in Groups IA, IIA, and IIIA Imidazol-2-Ylidene Complexes. Journal of Chemistry. 2019. Vol. 2019, no. 2019, pp.1-9.
https://search.emarefa.net/detail/BIM-1171287
نوع البيانات
مقالات
لغة النص
الإنجليزية
الملاحظات
Includes bibliographical references
رقم السجل
BIM-1171287
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