Bis(4-methylpiperidinyl)-phenylphosphine and bis(4-benzylpiperidinyl)-phenylphosphine: Synthesis, derivatization, molybdenum complexes and DFT calculations

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dc.contributor.authorSarioz, Ozlem
dc.contributor.authorKandemirli, Fatma
dc.contributor.authorOznergiz, Sena
dc.date.accessioned2019-08-01T13:38:39Z
dc.date.available2019-08-01T13:38:39Z
dc.date.issued2014
dc.departmentNiğde ÖHÜ
dc.description.abstractFunctionalized 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(NC5H9CH2C6H5)(2) (2) are strong sigma-donors and have similar electronic properties. (C) 2013 Elsevier Ltd. All rights reserved.
dc.description.sponsorshipTUBITAK [110T572]
dc.description.sponsorshipSupport of this work by TUBITAK (Project number 110T572) is gratefully acknowledged.
dc.identifier.doi10.1016/j.poly.2013.08.048
dc.identifier.endpage111
dc.identifier.issn0277-5387
dc.identifier.scopus2-s2.0-84887152234
dc.identifier.scopusqualityQ2
dc.identifier.startpage103
dc.identifier.urihttps://dx.doi.org/10.1016/j.poly.2013.08.048
dc.identifier.urihttps://hdl.handle.net/11480/4207
dc.identifier.volume68
dc.identifier.wosWOS:000331421400015
dc.identifier.wosqualityQ2
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.institutionauthor[0-Belirlenecek]
dc.language.isoen
dc.publisherPERGAMON-ELSEVIER SCIENCE LTD
dc.relation.ispartofPOLYHEDRON
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.subjectAminophosphines
dc.subjectAminophosphine chalcogenides
dc.subjectAminophosphine complexes
dc.subjectQuantum chemical calculations
dc.subjectDFT
dc.titleBis(4-methylpiperidinyl)-phenylphosphine and bis(4-benzylpiperidinyl)-phenylphosphine: Synthesis, derivatization, molybdenum complexes and DFT calculations
dc.typeArticle

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