77Se solid-state NMR spectroscopy and structures of tetramethylammonium pentaselenide and hexaselenide complexes

Patrick J. Barrie, Robin J H Clark, Duck Young Chung, Debojit Chakrabarty, Mercouri G Kanatzidis

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Abstract

High-resolution 77Se solid-state NMR spectra are reported for [NMe4]2Se5 and [NMe4]2Se6. The isotropic chemical shifts for the former are similar to those observed for the Se52- ion in solution, suggesting that the conformation adopted by the anion is similar in the solid state and solution. The agreement between the chemical shifts for the Se62- anion in the solid state and solution is less good. The spectra show that the five selenium sites are distinct in [NMe4]2Se5 while the symmetry of [NMe4]2Se6 is such that there are only three crystallographically different selenium sites. Single-crystal X-ray structure determinations of [NMe4]2Se5 and [NMe4]2Se6 are reported which are consistent with this observation. Using α, β, and γ to signify the selenium atom positions relative to the ends of the chain, the shielding anisotropies for the α and β sites are large (in the range 720-1175 ppm), while those for the γ sites are lower than these (614 and 332 ppm).

Original languageEnglish
Pages (from-to)4299-4304
Number of pages6
JournalInorganic Chemistry
Volume34
Issue number17
Publication statusPublished - 1995

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Selenium
selenium
Nuclear magnetic resonance spectroscopy
Chemical shift
solid state
nuclear magnetic resonance
Anions
chemical equilibrium
solid solutions
spectroscopy
anions
Shielding
shielding
Conformations
Anisotropy
Nuclear magnetic resonance
Single crystals
Ions
X rays
Atoms

ASJC Scopus subject areas

  • Inorganic Chemistry

Cite this

77Se solid-state NMR spectroscopy and structures of tetramethylammonium pentaselenide and hexaselenide complexes. / Barrie, Patrick J.; Clark, Robin J H; Chung, Duck Young; Chakrabarty, Debojit; Kanatzidis, Mercouri G.

In: Inorganic Chemistry, Vol. 34, No. 17, 1995, p. 4299-4304.

Research output: Contribution to journalArticle

Barrie, Patrick J. ; Clark, Robin J H ; Chung, Duck Young ; Chakrabarty, Debojit ; Kanatzidis, Mercouri G. / 77Se solid-state NMR spectroscopy and structures of tetramethylammonium pentaselenide and hexaselenide complexes. In: Inorganic Chemistry. 1995 ; Vol. 34, No. 17. pp. 4299-4304.
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AU - Kanatzidis, Mercouri G

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N2 - High-resolution 77Se solid-state NMR spectra are reported for [NMe4]2Se5 and [NMe4]2Se6. The isotropic chemical shifts for the former are similar to those observed for the Se52- ion in solution, suggesting that the conformation adopted by the anion is similar in the solid state and solution. The agreement between the chemical shifts for the Se62- anion in the solid state and solution is less good. The spectra show that the five selenium sites are distinct in [NMe4]2Se5 while the symmetry of [NMe4]2Se6 is such that there are only three crystallographically different selenium sites. Single-crystal X-ray structure determinations of [NMe4]2Se5 and [NMe4]2Se6 are reported which are consistent with this observation. Using α, β, and γ to signify the selenium atom positions relative to the ends of the chain, the shielding anisotropies for the α and β sites are large (in the range 720-1175 ppm), while those for the γ sites are lower than these (614 and 332 ppm).

AB - High-resolution 77Se solid-state NMR spectra are reported for [NMe4]2Se5 and [NMe4]2Se6. The isotropic chemical shifts for the former are similar to those observed for the Se52- ion in solution, suggesting that the conformation adopted by the anion is similar in the solid state and solution. The agreement between the chemical shifts for the Se62- anion in the solid state and solution is less good. The spectra show that the five selenium sites are distinct in [NMe4]2Se5 while the symmetry of [NMe4]2Se6 is such that there are only three crystallographically different selenium sites. Single-crystal X-ray structure determinations of [NMe4]2Se5 and [NMe4]2Se6 are reported which are consistent with this observation. Using α, β, and γ to signify the selenium atom positions relative to the ends of the chain, the shielding anisotropies for the α and β sites are large (in the range 720-1175 ppm), while those for the γ sites are lower than these (614 and 332 ppm).

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