1D Ferromagnetic Interaction of 2-Iodo Nitronyl Nitroxide Radical Confirmed by Spin Density Calculation-中国期刊网

摘要 Asupramolecular1Dferromagneticsystemwasstudiedexperimentallyaswellastheoretically.Hybriddensityfunctionaltheory(DFT)calculationswerebasedontheX-rayanalysis.TheresultsofDFTcalculationsandMcConnellmechanismhavecontributedtotheunderstandingofthefactorsgoverningtheexchangecouplingofmagnetisminthecrystalpacking.Boththeexperimentalevidenceandtheoreticalcalculationindicatethatspindensityin2-iodonitronylnitroxide(INN)radicalsconfirms1Dferromagneticchainwithinter-chainantiferromagneticinteraction.

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1D Ferromagnetic Interaction of 2-Iodo Nitronyl Nitroxide Radical Confirmed by Spin Density Calculation

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1D Ferromagnetic Interaction of 2-Iodo Nitronyl Nitroxide Radical Confirmed by Spin Density Calculation

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