دورية أكاديمية

Structure simulation into a lamellar supramolecular network and calculation of the metal ions/ligands ratio

التفاصيل البيبلوغرافية
العنوان: Structure simulation into a lamellar supramolecular network and calculation of the metal ions/ligands ratio
المؤلفون: Visa Aurelia, Mracec Maria, Maranescu Bianca, Maranescu Valentin, Ilia Gheorghe, Popa Adriana, Mracec Mircea
المصدر: Chemistry Central Journal, Vol 6, Iss 1, p 91 (2012)
بيانات النشر: BMC, 2012.
سنة النشر: 2012
المجموعة: LCC:Chemistry
مصطلحات موضوعية: Metal ions/ligands ratio, Metal organic frameworks, Lamellar structures, Supramolecular Oh complexes, Chemistry, QD1-999
الوصف: Abstract Background Research interest in phosphonates metal organic frameworks (MOF) has increased extremely in the last two decades, because of theirs fascinating and complex topology and structural flexibility. In this paper we present a mathematical model for ligand/metal ion ratio of an octahedral (Oh) network of cobalt vinylphosphonate (Co(vP)·H2O). Results A recurrent relationship of the ratio between the number of ligands and the number of metal ions in a lamellar octahedral (Oh) network Co(vP)·H2O, has been deducted by building the 3D network step by step using HyperChem 7.52 package. The mathematical relationship has been validated using X ray analysis, experimental thermogravimetric and elemental analysis data. Conclusions Based on deducted recurrence relationship, we can conclude prior to perform X ray analysis, that in the case of a thermogravimetric analysis pointing a ratio between the number of metal ions and ligands number around 1, the 3D network will have a central metal ion that corresponds to a single ligand. This relation is valid for every type of supramolecular network with divalent metal central ion Oh coordinated and bring valuable information with low effort and cost.
نوع الوثيقة: article
وصف الملف: electronic resource
اللغة: English
تدمد: 1752-153X
العلاقة: http://journal.chemistrycentral.com/content/6/1/91Test; https://doaj.org/toc/1752-153XTest
DOI: 10.1186/1752-153X-6-91
الوصول الحر: https://doaj.org/article/dba23370284a451b82cf193acfaa16cdTest
رقم الانضمام: edsdoj.ba23370284a451b82cf193acfaa16cd
قاعدة البيانات: Directory of Open Access Journals
الوصف
تدمد:1752153X
DOI:10.1186/1752-153X-6-91