A computational study on the nature, strength and cooperativity of bonds in [M(η5–C60Me5)(CO)n] and [M(η5–Cp)(CO)n] (n = 3, M = Mn(<scp>i</scp>), Tc(<scp>i</scp>), Re(<scp>i</scp>); n = 2, M = Co(<scp>i</scp>), Rh(<scp>i</scp>), Ir(<scp>i</scp>)) complexes

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A computational study on the nature, strength and cooperativity of bonds in [M(η⁵–C₆₀Me₅)(CO)_n] and [M(η⁵–Cp)(CO)_n] (n = 3, M = Mn(i), Tc(i), Re(i); n = 2, M = Co(i), Rh(i), Ir(i)) complexes

Abstract: In this paper, a computational study, at M06L/def2-SVP and BP86/def2-SVP levels of theory, on [M(η5-C60Me5)(CO)n] (n=3, M= Mn(I), Tc(I), Re(I); n=2, M= Co(I), Rh(I), Ir(I)) complexes as well as corresponding...

Cited by 5 publications

References 44 publications

Quantitative assessment of the nature and strength of Au‒dithiolate bond in gold(III) bis(1,2-dithiolate) homoleptic complexes

Quantitative assessment of the nature and strength of Au‒dithiolate bond in gold(III) bis(1,2-dithiolate) homoleptic complexes

Nature and strength of metal-dichalcogenolate bond in homoleptic square-planar d8 metal bis(1,2-dichalcogenolate) complexes [M(E2C2(CN)2)2]2– (E=S, Se, Te; M=Ni(II), Pd(II), Pt(II)): A DFT study

Substituted fullerenes as a promising capping ligand towards stabilization of exohedral Dy(iii) based single-ion magnets: a theoretical study

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A computational study on the nature, strength and cooperativity of bonds in [M(η5–C60Me5)(CO)n] and [M(η5–Cp)(CO)n] (n = 3, M = Mn(i), Tc(i), Re(i); n = 2, M = Co(i), Rh(i), Ir(i)) complexes

Abstract: In this paper, a computational study, at M06L/def2-SVP and BP86/def2-SVP levels of theory, on [M(η5-C60Me5)(CO)n] (n=3, M= Mn(I), Tc(I), Re(I); n=2, M= Co(I), Rh(I), Ir(I)) complexes as well as corresponding...

Cited by 5 publications

References 44 publications

Quantitative assessment of the nature and strength of Au‒dithiolate bond in gold(III) bis(1,2-dithiolate) homoleptic complexes

Quantitative assessment of the nature and strength of Au‒dithiolate bond in gold(III) bis(1,2-dithiolate) homoleptic complexes

Nature and strength of metal-dichalcogenolate bond in homoleptic square-planar d8 metal bis(1,2-dichalcogenolate) complexes [M(E2C2(CN)2)2]2– (E=S, Se, Te; M=Ni(II), Pd(II), Pt(II)): A DFT study

Substituted fullerenes as a promising capping ligand towards stabilization of exohedral Dy(iii) based single-ion magnets: a theoretical study

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Product

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A computational study on the nature, strength and cooperativity of bonds in [M(η⁵–C₆₀Me₅)(CO)_n] and [M(η⁵–Cp)(CO)_n] (n = 3, M = Mn(i), Tc(i), Re(i); n = 2, M = Co(i), Rh(i), Ir(i)) complexes