Theoretical study of dibenzotetraaza[14]annulene complexes with first row transition metals

Sousa, Natanael de Sousa; Lima, Roberto Alves de; Silva, Adilson Luís Pereira; Tanaka, Auro Atsushi; Silva, Albérico Borges Ferreira da; Júnior, Jaldyr de Jesus Gomes Varela

doi:10.1016/j.comptc.2014.12.005

Cited by 17 publications

(2 citation statements)

References 51 publications

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“…6). In accordance with Koopman's generalised depiction of frontier orbital energies (˗ε HOMO and ˗ε LUMO ) as ionisation potential (I) and electron affinity (A) respectively, Pearson formulated a relation between the reactivity/stability of a species with the energy gap between HOMO and LUMO [72][73][74][75]. The chemical hardness or resistance to deformation (η), which is a molecular property, was defined as η= ½(I˗A).…”

Section: Computational Studiesmentioning

confidence: 99%

Aluminium complexes bearing N,O-aminophenol ligands as efficient catalysts for the ring opening polymerization of lactide

Roymuhury

Chakraborty

Ramkumar

2015

European Polymer Journal

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Section: Computational Studiesmentioning

confidence: 99%

Aluminium complexes bearing N,O-aminophenol ligands as efficient catalysts for the ring opening polymerization of lactide

Roymuhury

Chakraborty

Ramkumar

2015

European Polymer Journal

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“…In this work, we uncover the highly interface-dependent spin transport and widely adjustable spin filtering effect in an Fe-Mn(DBTAA)-Fe single molecule spintronic device, which is constructed by using magnetic Fe electrodes and a manganese dibenzotetraaza [14]annulene [Mn(DBTAA)] single molecule magnet. The Mn(DBTAA) molecule and its similar structures have been previously synthesized 20,21 and used to modify the counter electrode in dye-sensitized solar cells. 22 Besides, researchers have theoretically studied the spin transport properties of several transition metal dibenzotetraaza [14]annulenes sandwiched between nonmagnetic gold, graphene or carbon nanotube electrodes, and found that perfect spin filtering can be obtained when Fe-and Co(DBTAA) molecules are used.…”

Section: Introductionmentioning

confidence: 99%

Highly interface-dependent spin transport in an Fe–Mn(DBTAA)–Fe single molecule spintronic device

Feng

et al. 2022

Nanoscale

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Memristors Based on Ni(II)‐tetraaza[14]annulene Complexes: Toward an Unconventional Resistive Switching Mechanism

Sławek,

Alluhaibi,

Kowalewska

et al. 2024

Adv Elect Materials

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In this work, a family of Ni‐based dibenzotetraaza[14]annulene (dtaa) complexes are investigated for their application in memristors (memory resistors). A series of four Ni(II) complexes with different peripheral substituents of the dtaa ligand are successfully synthesized. Based on these compounds, two‐terminal thin‐film devices are fabricated in planar architecture. Four metals with different work functions are tested: Mg, Cu, Ni, and Au. It is demonstrated that ITO|[Ni(Me4dtaa)]|Cu devices show hysteretic behavior and offer stable, robust, and reproducible switching between high‐ and low‐resistive states. An in‐depth spectroscopic characterization of the Ni complex is performed, using radiation from infrared, through visible and ultraviolet, to tender X‐rays. Operando X‐ray fluorescence spectroscopy is used to monitor redox and structural changes upon the polarization of the studied memristor with the external electric field. Density functional theory calculations are used to better understand the electronic structure of the studied material, as well as structural rearrangement after electron injection that may be responsible for the modulation of electric conductivity. Finding a unique case of filamentary‐type resistive switching involving redox reactions of stationary molecules within a molecular solid is postulated. Yet, the formation of these filaments is not related to any significant configurational changes at the atomic scale.

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Theoretical study of dibenzotetraaza[14]annulene complexes with first row transition metals

Cited by 17 publications

References 51 publications

Aluminium complexes bearing N,O-aminophenol ligands as efficient catalysts for the ring opening polymerization of lactide

Aluminium complexes bearing N,O-aminophenol ligands as efficient catalysts for the ring opening polymerization of lactide

Highly interface-dependent spin transport in an Fe–Mn(DBTAA)–Fe single molecule spintronic device

Memristors Based on Ni(II)‐tetraaza[14]annulene Complexes: Toward an Unconventional Resistive Switching Mechanism

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