Literatura académica sobre el tema "Catecholate Monoanion"

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Artículos de revistas sobre el tema "Catecholate Monoanion"

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Greaves, Sarah J., and William P. Griffith. "Vibrational spectra of catechol, catechol-d2 and -d6 and the catecholate monoanion." Spectrochimica Acta Part A: Molecular Spectroscopy 47, no. 1 (1991): 133–40. http://dx.doi.org/10.1016/0584-8539(91)80185-l.

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Persson, Christina, Åke Oskarsson, and Carlaxel Andersson. "Tungsten(VI) complexes with bidentate coordination of the catecholate monoanion. Synthesis of [W(O)Cl3(O,HOC6H4)·O(C2H5)2] and synthesis and crystal structure of [W(O)Cl(O2C6H4)(O,HOC6H4)·O(C2H5)2]." Polyhedron 11, no. 16 (1992): 2039–44. http://dx.doi.org/10.1016/s0277-5387(00)83159-9.

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Wang, Peng, Glenn P. A. Yap, and Charles G. Riordan. "Iron(II)–alkoxide and –aryloxide complexes of a tris(thioether)borate ligand: synthesis, molecular structures, and implications on the origin of instability of their iron(II)–catecholate counterpart." Acta Crystallographica Section C Structural Chemistry 77, no. 9 (2021): 544–50. http://dx.doi.org/10.1107/s2053229621008500.

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The phenyltris[(tert-butylthio)methyl]borate ligand, [PhTt tBu], has been studied extensively as a platform for coordination, organometallic, and bioinorganic chemistry, especially with 3d metals. While [PhTt tBu]Co(3,5-DBCatH) (3,5-DBCatH is 3,5-di-tert-butylcatecholate), a CoII–monoanionic catecholate complex, was successfully isolated to model the active site of cobalt(II)-substituted homoprotocatechuate 2,3-dioxygenase (Co-HPCD) [Wang et al. (2019). Inorg. Chim. Acta, 488, 49–55], its iron(II) counterpart, [PhTt tBu]Fe(3,5-DBCatH), was not accessible via similar synthetic routes. Switching the nucleophile from catecholate to alkoxide or aryloxide, however, led to the successful isolation of three highly air-sensitive FeII–alkoxide and –aryloxide complexes, namely, (triphenylmethoxo){tris[(tert-butylsulfanyl)methyl]phenylborato-κ3 S,S′,S′′}iron(II), [Fe(C21H38BS3)(C19H15O)], (2), (2,6-dimethylphenolato){tris[(tert-butylsulfanyl)methyl]phenylborato-κ3 S,S′,S′′}iron(II), [Fe(C21H38BS3)(C8H9O)], (3), and bis{μ-tris[(tert-butylsulfanyl)methyl]phenylborato-κ3 S,S′:S′′}bis[(phenolato-κO)iron(II)] toluene disolvate, [Fe2(C21H38BS3)2(C6H5O)2]·2C7H8, (4). In the solid state, compounds (2) and (3) are monomeric, with [PhTt tBu] acting as a tridentate ligand. In contrast, compound (4) crystallizes as a dimeric complex, wherein each [PhTt tBu] ligand binds to an iron centre with two thioethers and binds to the other iron centre with the third thioether. The molecular structures of (2)–(4) demonstrate a diversity in the binding modes of [PhTt tBu] and highlight its potential use for assembling multinuclear complexes. In addition, the successful isolation of (2)–(4), as well as the structural information of a [PhTt tBu] modification product, namely, bis{μ-tris[(tert-butylsulfanyl)methyl](2-oxidophenolato)borato-κO,O′,S,S′:O′}dicobalt(II), [Co2(C21H37BO2S3)2], (5), obtained from the reaction of [PhTt tBu]CoCl with potassium monoanionic catecholate, shed light on the origin of the instability of [PhTt tBu]Fe(3,5-DBCatH).
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Adhikari, Sangita, Arnab Banerjee, Sandip Nandi, Matilde Fondo, Jesús Sanmartín-Matalobos та Debasis Das. "Structure, magnetism and catecholase activity of the first dicopper(ii) complex having a single μ-alkoxo bridge". RSC Advances 5, № 15 (2015): 10987–93. http://dx.doi.org/10.1039/c4ra14603d.

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Pyridine-2,6-dimethanol shows a neutral, monoanionic and dianionic coordination behaviour with two different coordination modes viz. tridentate and bidentate towards Cu(ii), leading to three different geometric environments around Cu(ii) centers.
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Jo, Du-Hwan, Yu-Min Chiou, and Lawrence Que. "Models for Extradiol Cleaving Catechol Dioxygenases: Syntheses, Structures, and Reactivities of Iron(II)−Monoanionic Catecholate Complexes." Inorganic Chemistry 40, no. 13 (2001): 3181–90. http://dx.doi.org/10.1021/ic001185d.

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Pattison, David I., Aviva Levina, Michael J. Davies, and Peter A. Lay. "An Investigation of the Chromium Oxidation State of a Monoanionic Chromium Tris(catecholate) Complex by X-ray Absorption and EPR Spectroscopies." Inorganic Chemistry 40, no. 2 (2001): 214–17. http://dx.doi.org/10.1021/ic000298u.

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Bhattacharyya, Debabrata, and Sai Ganesh Ramesh. "Multidimensional H-atom Tunneling in Catecholate Monoanion." Physical Chemistry Chemical Physics, 2022. http://dx.doi.org/10.1039/d1cp04590c.

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Bhattacharyya, Debabrata, and Sai Ganesh Ramesh. "Wavepacket dynamical study of H-atom tunneling in catecholate monoanion: Role of intermode couplings and energy flow." Physical Chemistry Chemical Physics, 2022. http://dx.doi.org/10.1039/d2cp03803j.

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We present a study of H-atom tunneling in catecholate monoanion through wavepacket dynamical simulations. In our earlier study of this symmetrical double-well system [Phys. Chem. Chem. Phys. 24, 10887 (2022)],...
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Tesis sobre el tema "Catecholate Monoanion"

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Bhattacharyya, Debabrata. "Theoretical investigation of H atom tunneling in Catecholate Monoanion: A combined time-independent and time-dependent quantum mechanical study." Thesis, 2021. https://etd.iisc.ac.in/handle/2005/5723.

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This thesis presents a combined time-independent and time-dependent quantum mechanical study of a system, Catecholate Monoanion (CM) for the study of H atom tunneling. It has an intramolecular H bond leading to a symmetric double well potential. Tunneling in a symmetric double well potential leads to lifting of degeneracy and splitting of energy levels. This has been an attraction for physicists and chemists for over 80 years. As the molecular process involves many degrees of freedom, the tunneling problem is multidimensional. Experimental works have indicated mode-specific tunneling effects, i.e. with selective excitation of a mode, tunneling splitting may enhance, decrease or have no effect [1–3]. These seemingly counterintuitive results have led to theoretical studies to understand the mechanism of the tunneling process. Several works with approximate approaches and exact variational treatments have indicated that incorporating multiple degrees of freedom is necessary for a correct description of these problems. Three systems, namely malonaldehyde, formic acid dimer and tropolone are very well-explored for mode-specific tunneling splittings, which includes recent theoretical studies [4–6]. These calculations indicate that the role of frequency, coupling strength and symmetry of different modes is important for these systems and results can be non-trivial. CM is a system bigger than the most extensively studied malonaldehyde, with the possibility of serving as a prototypical system where exact treatment of various vibrations may be carried out without approximation. In this thesis, we have studied CM from both eigenstate calculation and dynamics perspectives. The former allows an understanding of the trends of mode-specific tunneling splittings in CM, while the dynamical studies help unravel the coupling mechanism that leads to enhancement or suppression of tunneling in this system.
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