التفاصيل البيبلوغرافية
| العنوان: |
Synthesis, crystal structures, hydrogen bonding graph-sets and theoretical studies of nickel (+II) co-ordinations with pyridine-2,6-dicarboxamide oxime |
| المؤلفون: |
Hamdaoui, A., Messai, A., Benyza, N., Lanez, T., Sayin, K. |
| المصدر: |
Journal of Fundamental and Applied Sciences; Vol 9, No 1 (2017); 183-205 ; 1112-9867 |
| بيانات النشر: |
University of El Oued |
| سنة النشر: |
2017 |
| المجموعة: |
AJOL - African Journals Online |
| مصطلحات موضوعية: |
Oxime complexe, Crystal structure, Hydrogen-bonding graph-set, DFT, M062X method, 6-31+G(d)(LANL2DZ) basis |
| الوصف: |
The pyridine-2,6-dicarboxamide oxime, C7H9N5O2, was Synthesis and characterises with 1H NMR and FTIR spectroscopy . The reaction of this ligand with nickel (II) perchlorate yielded green crystals of formula [Ni(C 7 H 9 N 5 O 2 ) 2 ] 2+ ,2[ClO 4 ]-, which crystallized in the monoclinic space group C2/c with a = 14.915(2), b = 0.895(2), c = 8.205(1) Å, β = 114.69(1), and Z = 4. The complex consists of discrete cations (+II) and one perchlorate anion, the cations existing in a slightly distorted octahedral complex with bonding through the heterocyclic and oxime nitrogen atoms. The structure is held together through N-H…O, O-H…O and C-H.O hydrogen bonds occurring between the coordinated oxime molecules and the perchlorate counter-ion. Computational investigations of nickel(II) complex are done by using M062X method with 6-31+G(d)(LANL2DZ) basis set in vacuo.Keywords: Oxime complexe; Crystal structure; Hydrogen-bonding graph-set; DFT; M062X method; 6-31+G(d)(LANL2DZ) basis. |
| نوع الوثيقة: |
article in journal/newspaper |
| وصف الملف: |
application/pdf |
| اللغة: |
English |
| Relation: |
http://www.ajol.info/index.php/jfas/article/view/151041/140620; http://www.ajol.info/index.php/jfas/article/view/151041 |
| الاتاحة: |
http://www.ajol.info/index.php/jfas/article/view/151041 |
| Rights: |
The copyright belongs to the journal. |
| رقم الانضمام: |
edsbas.3F3B2A0F |
| قاعدة البيانات: |
BASE |