density functional theory studies on the structure, vibrational spectra of three new tetrahalogenoferrate (iii) complexes密度泛函理论研究结构,振动光谱的三个新tetrahalogenoferrate(iii)复合物.pdfVIP

Vol.3, No.8, 683-688 (2011) Natural Science /10.4236/ns.2011.38091 Density functional theory studies on the structure, vibrational spectra of three new tetrahalogenoferrate (III) complexes 1,2* 1 1 Shahriare Ghammamy , Kheyrollah Mehrani , Somayyeh Rostamzadehmansor , Hajar Sahebalzamani1 1Departments of Chemistry, Faculty of Science, Ardabil Branch, Islamic Azad University, Ardabil, Iran; * Corresponding Author: shghamami@ 2Department of Chemistry, Faculty of Science, Imam Khomeini International University,Ghazvin, Iran. Received 9 January 2011; revised 2 March 2011; accepted 12 March 2011. ABSTRACT tion of the structures and properties of these compounds and their similarities are interested. In this work, we re- Three new tetrahalogenoferrate (III) complexes port on the synthesis and characterisation of new com- – with the general formula (R) N[FeCl X] in that plexes of type (R) – – – – 4 3 N[FeCl X] (X = F , Cl , Br ) Ob- 4 3 (X = F− − − , Cl , Br ) synthesized by the reaction of tained directly from FeCl3 and tetraalkylammonium salts. FeCl with (C H ) NF, (CH ) NCl and (C H ) NBr During this study we report the optimized geometries