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Coordination Compounds and Nomenclature02:54

Coordination Compounds and Nomenclature

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In most main group element compounds, the valence electrons of the isolated atoms combine to form chemical bonds that satisfy the octet rule. For instance, the four valence electrons of carbon overlap with electrons from four hydrogen atoms to form CH4. The one valence electron leaves sodium and adds to the seven valence electrons of chlorine to form the ionic formula unit NaCl (Figure 1a). Transition metals do not normally bond in this fashion. They primarily form coordinate covalent bonds, a...
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Alkali Metals

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Group 1 elements are soft and shiny metallic solids. They are malleable, ductile, and good conductors of heat and electricity. The melting points of the alkali metals are unusually low for metals and decrease going down the group, while the density increases going down the group with the exception of potassium (Table 1).
Table 1: Properties of the alkali metals
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The hemoglobin in the blood, the chlorophyll in green plants, vitamin B-12, and the catalyst used in the manufacture of polyethylene all contain coordination compounds. Ions of the metals, especially the transition metals, are likely to form complexes.
In these complexes, transition metals form coordinate covalent bonds, a kind of Lewis acid-base interaction in which both of the electrons in the bond are contributed by a donor (Lewis base) to an electron acceptor (Lewis acid). The Lewis acid in...
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Coordination Number and Geometry

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For transition metal complexes, the coordination number determines the geometry around the central metal ion. Table 1 compares coordination numbers to molecular geometry. The most common structures of the complexes in coordination compounds are octahedral, tetrahedral, and square planar.
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Valence Bond Theory

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Coordination compounds and complexes exhibit different colors, geometries, and magnetic behavior, depending on the metal atom/ion and ligands from which they are composed. In an attempt to explain the bonding and structure of coordination complexes, Linus Pauling proposed the valence bond theory, or VBT, using the concepts of hybridization and the overlapping of the atomic orbitals. According to VBT, the central metal atom or ion (Lewis acid) hybridizes to provide empty orbitals of suitable...
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The alkali metal sodium (atomic number 11) has one more electron than the neon atom. This electron must go into the lowest-energy subshell available, the 3s orbital, giving a 1s22s22p63s1 configuration. The electrons occupying the outermost shell orbital(s) (highest value of n) are called valence electrons, and those occupying the inner shell orbitals are called core electrons. Since the core electron shells correspond to noble gas electron configurations, we can abbreviate electron...
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Soft scorpionate coordination at alkali metals.

Rajeev Rajesekharan-Nair1, Samuel T Lutta2, Alan R Kennedy1

  • 1WestCHEM, Department of Pure and Applied Chemistry, University of Strathclyde, 295 Cathedral Street, Glasgow G1 1XL, Scotland.

Acta Crystallographica. Section C, Structural Chemistry
|May 13, 2014
PubMed
Summary
This summary is machine-generated.

This study details the crystal structures of sodium hydrotris(thioimidazolyl)borate complexes, revealing novel bonding in a one-dimensional polymer and insights into alkali metal coordination chemistry.

Keywords:
DFT analysisalkali metalscrystal structurescorpionates

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Area of Science:

  • Inorganic Chemistry
  • Crystallography
  • Coordination Chemistry

Background:

  • Alkali metal complexes with soft scorpionate ligands are of interest for their unique structural motifs.
  • Hydrotris(imidazolyl)borate ligands, particularly their thione variants, offer diverse coordination possibilities.
  • Understanding the structural preferences of these complexes is key to designing new materials.

Purpose of the Study:

  • To report the single-crystal X-ray structure analyses of three sodium hydrotris(thioimidazolyl)borate complexes.
  • To characterize novel bonding interactions and structural architectures in these sodium complexes.
  • To provide an overview of structural preferences in alkali metal soft scorpionate complexes.

Main Methods:

  • Single-crystal X-ray structure determination was employed for all reported compounds.
  • Analysis of crystallographic data to elucidate molecular structures and bonding modes.
  • Comparison of structural features across related sodium complexes.

Main Results:

  • The structures of bis-μ-methanol-bis{[hydrotris(3-phenyl-2-sulfanylidene-2,3-dihydro-1H-1,3-imidazol-1-yl)borato]sodium(I)} (NaTm(Ph)) and a related isopropyl derivative (NaTm(iPr)) were determined, showing similar dimeric structures with variations in crystallographic symmetry.
  • A novel anhydrous form, poly[[μ-hydrotris(3-methyl-2-sulfanylidene-2,3-dihydro-1H-1,3-imidazol-1-yl)borato]sodium(I)] ([NaTm(Me)]n), was characterized as a one-dimensional coordination polymer.
  • The [NaTm(Me)]n polymer exhibits a previously unreported side-on η(2)-C=S-to-Na bonding interaction.

Conclusions:

  • The structural diversity of sodium hydrotris(thioimidazolyl)borate complexes includes dimeric and polymeric forms.
  • The discovery of the η(2)-C=S-to-Na bond highlights new coordination modes in alkali metal chemistry.
  • Thione-based scorpionate ligands are a promising platform for generating novel alkali metal coordination compounds.