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Bis 4 methylpiperidinyl phenylphosphine and bis 4 benzylpiperidinyl phenylphosphine Synthesis derivatization molybdenum complexes and DFT calculations   
Yazarlar
Özlem Sariöz
Niğde Ömer Halisdemir University, Turkey
Prof. Dr. Fatma KANDEMİRLİ Prof. Dr. Fatma KANDEMİRLİ
Kastamonu Üniversitesi, Türkiye
Sena Öznergiz
Niğde Ömer Halisdemir University, Turkey
Özet
Functionalized bis(amino)phosphines of the type PhP(NR2) 2 have been synthesized by treating PhPCl2 with 4-methylpiperidine or 4-benzylpiperidine. The ligands react with aqueous hydrogen peroxide, elemental sulfur or selenium to give the corresponding chalcogenides in good yield. The molybdenum complexes of the bis(amino)phosphines have been obtained. All of the compounds were obtained in good yields and were characterized by IR, NMR and elemental analysis. Quantum chemical calculations, such as HOMO-LUMO energies, Mulliken charges etc., were carried out using B3LYP/6-31G(d,p), a version of the DFT method with the standard gaussian 09 software package program for the bis(amino)phosphines and their chalcogenides. The experimental and theoretical results show that PPh(NC5H9CH3)2 (1) and PPh(NC 5H9CH2C6H5)2 (2) are strong σ-donors and have similar electronic properties. © 2013 Elsevier Ltd. All rights reserved.
Anahtar Kelimeler
Aminophosphine chalcogenides | Aminophosphine complexes | Aminophosphines | DFT | Quantum chemical calculations
Makale Türü Özgün Makale
Makale Alt Türü SSCI, AHCI, SCI, SCI-Exp dergilerinde yayımlanan tam makale
Dergi Adı Polyhedron
Dergi ISSN 0277-5387
Dergi Tarandığı Indeksler SCI-Expanded
Makale Dili İngilizce
Basım Tarihi 01-2014
Cilt No 68
Sayı 1
Sayfalar 103 / 111
Doi Numarası 10.1016/j.poly.2013.08.048
Makale Linki http://linkinghub.elsevier.com/retrieve/pii/S0277538713006116