Alkoxycarbonylmethyl derivatives of tellurium: Facile synthesis and structural studies

Chauhan, Akshansha; Bharti, Swami N.; Srivastava, R.C.; Butcher, Ray J.; Duthie, Andrew

doi:10.1016/j.jorganchem.2013.01.010

Cited by 9 publications

(2 citation statements)

References 14 publications

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“…In the ArHgCl moiety, each mercury atom is linearly coordinated to a chloride and a carbon atom (angle C-Hg-Cl = 177.659 °) which is structurally fully characterized. From Table 4, there are in agreement between the calculated bonds lengths C-Hg, Hg-Cl, C-Te, Te-Br and Te-Te and their measured bonds lengths [34][35][36][37]. Generally there is no significant differences between the calculated bond lengths, however, only a slight decrease in the bond length N=N of compound 8, 9 and 10, might be due to the steric effects.…”

Section: Computational Studysupporting

confidence: 65%

Synthesis, antimicrobial activity, computational and modeling studies of some new organotellurium compounds containing azo moities

et al. 2015

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Section: Computational Studysupporting

confidence: 65%

Synthesis, antimicrobial activity, computational and modeling studies of some new organotellurium compounds containing azo moities

et al. 2015

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“…As could be seen from Table 1, there is fair agreement between the calculated bonds lengths of C-Te, Te-Br and Te-Te bonds with the measured bond lengths [21][22][23][24][25][26]. Generally, there is no significant difference between the calculated bond lengths.…”

Section: Optimized Structurementioning

confidence: 64%

Molecular structure, vibrational spectroscopic and HOMO/LUMO studies of some organotellurium compounds by quantum chemical investigations

2015

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Quantum mechanical calculations of geometries, energies and vibrational frequencies of organic mercury and tellurium compounds containing azomethine group, molecules a1-a5 and containing azo group, molecules a6-a10 have been undertaken using density functional theory. The optimized geometrical parameters such as bond lengths, bond angles and dihedral angles showed that only organomercuric compounds have planer structures. The calculation of the total energy and HOMO-LUMO energy gap were showed that organotellurium compounds have higher reactivity than the corresponding organomercuric compounds. As well it showed the HOMO orbitals are localized mainly on tellurium, nitrogen and bromine atoms moieties, while the LUMO of π nature are mostly located on the phenyl ring. The calculated vibrational frequencies of molecules a1 and a7 are in good agreement with experimental frequencies with correlation coefficient r 2 value is 0.9875 and 0.9987, respectively.

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Synthesis and Single Crystal X-ray Studies of Cyclic and Acyclic Organotellurium(IV) Diiodide

Singh

Butcher

2022

J Chem Crystallogr

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Alkoxycarbonylmethyl derivatives of tellurium: Facile synthesis and structural studies

Cited by 9 publications

References 14 publications

Synthesis, antimicrobial activity, computational and modeling studies of some new organotellurium compounds containing azo moities

Synthesis, antimicrobial activity, computational and modeling studies of some new organotellurium compounds containing azo moities

Molecular structure, vibrational spectroscopic and HOMO/LUMO studies of some organotellurium compounds by quantum chemical investigations

Synthesis and Single Crystal X-ray Studies of Cyclic and Acyclic Organotellurium(IV) Diiodide

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