Heterotrimetallic compounds containing Mo–M–Li [M = K, Rb and Cs] clusters: synthesis, structure, bonding, aromaticity and theoretical investigations of Li2M2 [M = K and Rb] and Cs4 rings

Deb, D.; Duley, Soma; Radenković, Slavko; Bultinck, Patrick; Chattaraj, Pratim Kumar; Bhattacharjee, Manish

doi:10.1039/c2cp42105d

Cited by 9 publications

(3 citation statements)

References 87 publications

(118 reference statements)

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“…NICS can be a blunt instrument for the detection of details of a complicated magnetic response, as it gives only indirect information about the magnetically induced ring current, whereas current density plots provide a qualitative picture of the entire current flow and a transparent partition into separate σ and π orbital contributions. 38 This point has often been noted 29,52 and has a compelling theoretical justification within ipsocentric theory. 53 Nonethe-less, the observed trend to negative NICS values of a larger absolute value in these molecules is consistent with the presence of conrotatory currents.…”

Section: Introductionmentioning

confidence: 94%

Periodoannulenes: A Generalized Annulene-within-an-Annulene Paradigm for Combined σ and π Ring Currents

Fowler

Havenith

2021

J. Phys. Chem. A

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Periodoannulene molecules and ions C x I x q in planar geometry offer examples of systems with the potential for outer σ and inner π ring-current double aromaticity, given a sufficient overlap of tangential p σ -orbital manifolds on the large atoms of the outer cycle. Previous theoretical work indicated concentric diatropic currents in the dication C 6 I 6 2+ . Ab initio ipsocentric calculations support an account in terms of frontier-orbital selection rules for current contributions in C 6 I 6 2+ (and radical C 6 I 6 +, implicated in recent experimental work on the oxidation of periodobenzene). A σ/π analogue of the annulene-within-anannulene model is applied here to periodo systems based on cyclooctatetraene. Model species C 8 I 8 q with charges q = 0, +1, +2, +4, −2 and structures constrained to a planar D 4h symmetry exhibit maps with all combinations of σ/π con-and counter-rotation, comprising global σ ring currents on the iodine perimeter and central π ring currents on the carbocycle. All can be rationalized by the separate application of the tropicity selection rules to the two subsystems, whether in singlet or triplet states.

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Section: Introductionmentioning

confidence: 94%

Periodoannulenes: A Generalized Annulene-within-an-Annulene Paradigm for Combined σ and π Ring Currents

Fowler

Havenith

2021

J. Phys. Chem. A

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“…Synthesis of hetero‐polymetallic complexes remains a challenge, due to the formation of the homometallic complex. Using metal complexes with free Lewis base sites, known as metalloligands, heterometallic complexes can be synthesized very easily . Polycarboxylic acids, such as nitrilotriacetic acid (H 3 NTA), have frequently been used for the synthesis of metalloligands.…”

Section: Introductionmentioning

confidence: 99%

“…Previously, we have reported the synthesis, structure, and theoretical investigation of hetero‐trimetallic complexes using a molybdenum metalloligand . Herein, we report the synthesis, structure, and magnetic properties of two hetero‐trimetallic complexes, [M(H 2 O) 4 {V 2 O 3 L 2 }K(H 2 O) 3 ] n · H 2 O [M = Co ( 1 ), Cu ( 2 ); H 3 L = nitrilotriacetic acid].…”

Section: Introductionmentioning

confidence: 99%

Synthesis, Structure, and Magnetic Properties of Trimetallic Coordination Polymers of Cobalt and Copper

Das

Bhattacharjee

2017

Eur J Inorg Chem

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Two isostructural hetero‐trimetallic vanadium metalloligand‐based three‐dimensional (3D) coordination polymers, [M(H2O)4{V2O3L2}K(H2O)3]n·H2O [M = Co (1), Cu (2); H3L = nitrilotriacetic acid] have been synthesized and structurally characterized by single‐crystal X‐ray diffraction. In the metalloligand unit, the vanadium centers are in a mixed‐valence state, VV and VIV, where there is partial delocalization of the electron between two vanadium centers. The complexes exhibit antiferromagnetic interactions between the Co/Cu centers and also between the V and Co/Cu centers. Compound 1 shows slow relaxation of the magnetization.

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Structural Diversity in Heterobimetallic Complexes of Alkaline Earth Metals and Molybdenum, and Selective Dye Adsorption Properties of Mixed Metal Oxides Synthesized from the Heterobimetallic Complexes

Das

2019

ChemistrySelect

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Four heterobimetallic complexes of group 2 metal (Mg 2 + , Ca 2 + , Sr 2 + , and Ba 2 + ) and molybdenum metalloligand ([Mo 2 O 5 L 2 ] 2À {H 2 L = 2-(3-tert-butyl-2-hydroxy-5-methoxybenzylamino) acetic acid}) have been synthesized and structurally characterized by single crystal X-ray diffraction. The size-dependent structural diversity has been observed. The coordination number of alkaline earth metal has gradually been increased from hexacoordinate to octa-coordinate and as a result, we are able to get monomer to dimer to one-dimensional (1D) coordination polymer. The lattice water molecule further connects two 1D chains and generated a two-dimensional (2D) network. The heterobimetallic complexes afford mixed-metal oxides of the type MMoO 4 ⋅MoO 3 (M = Mg 2 + , Ca 2 + , Sr 2 + , and Ba 2 + ). The dye and gas adsorption properties of the mixed metal oxides have been studied. They exhibit selective cationic dyes adsorption from the mixture of anionic and cationic dye.[a] Dr.

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Heterotrimetallic compounds containing Mo–M–Li [M = K, Rb and Cs] clusters: synthesis, structure, bonding, aromaticity and theoretical investigations of Li2M2 [M = K and Rb] and Cs4 rings

Abstract: A new polydentate fac-trioxo molybdenum complex, [MoO 3 L]

Cited by 9 publications

References 87 publications

Periodoannulenes: A Generalized Annulene-within-an-Annulene Paradigm for Combined σ and π Ring Currents

Periodoannulenes: A Generalized Annulene-within-an-Annulene Paradigm for Combined σ and π Ring Currents

Synthesis, Structure, and Magnetic Properties of Trimetallic Coordination Polymers of Cobalt and Copper

Structural Diversity in Heterobimetallic Complexes of Alkaline Earth Metals and Molybdenum, and Selective Dye Adsorption Properties of Mixed Metal Oxides Synthesized from the Heterobimetallic Complexes

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