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Related Concept Videos

Coordination Number and Geometry02:57

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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The structure of a crystalline solid, whether a metal or not, is best described by considering its simplest repeating unit, which is referred to as its unit cell. The unit cell consists of lattice points that represent the locations of atoms or ions. The entire structure then consists of this unit cell repeating in three dimensions. The three different types of unit cells present in the cubic lattice are illustrated in Figure 1.
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π Molecular Orbitals of 1,3-Butadiene01:24

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Conjugated dienes have lower heats of hydrogenation than cumulated and isolated dienes, making them more stable. The enhanced stabilization of conjugated systems can be understood from their π molecular orbitals.
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Structure of Benzene: Molecular Orbital Model01:18

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According to the molecular orbital (MO) model, benzene has a planar structure with a regular hexagon of six sp2 hybridized carbons. As shown in Figure 1, each carbon is bonded to three other atoms with C–C–C and H–C–C bond angles of 120°. The C–H bond length is 109 pm, and the C–C bond length is 139 pm which is midway between the single bond length of sp3 hybridized carbons (154 pm) and sp2 hybridized carbons (133 pm).
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Construction and Systematical Symmetric Studies of a Series of Supramolecular Clusters with Binary or Ternary Ammonium Triphenylacetates
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A 14-vertex bud-shaped [(Cp*Ti)2B12H18] cluster.

Subhash Bairagi1, Debipada Chatterjee1, Deepak Kumar Patel1

  • 1Department of Chemistry, Indian Institute of Technology Madras, Chennai 600036, India. sghosh@iitm.ac.in.

Dalton Transactions (Cambridge, England : 2003)
|March 24, 2026
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Summary
This summary is machine-generated.

Two novel titanaborane clusters were synthesized and characterized. Cluster 1, a 14-vertex macropolyhedral titanaborane, exhibits unique structural features and does not adhere to established cluster counting rules.

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Area of Science:

  • Organometallic Chemistry
  • Boron Chemistry
  • Coordination Chemistry

Background:

  • Titanaboranes are organometallic compounds containing titanium and boron.
  • Macropolyhedral clusters represent complex, fused boron cage structures.
  • Understanding cluster fusion rules is key to predicting and synthesizing novel boron cage compounds.

Purpose of the Study:

  • To synthesize and structurally characterize novel macropolyhedral titanaboranes.
  • To investigate the structural motifs and bonding in these complex clusters.
  • To explore the applicability of existing theoretical rules (Mingos, Jemmis) to these new structures.

Main Methods:

  • Synthesis of titanaborane clusters via chemical reactions.
  • Single-crystal X-ray diffraction for structural determination.
  • Spectroscopic and analytical techniques for characterization.

Main Results:

  • Synthesis and structural characterization of a 14-vertex titanaborane, [(Cp*Ti)2B12H18] (1).
  • Synthesis and isolation of a 17-vertex titanaborane, [(Cp*Ti)2(B15H20)(µ-SH)] (2).
  • Cluster 1 features fused arachno-subclusters with inter-subcluster B-B linkages, deviating from established fusion formalisms.

Conclusions:

  • The discovery of unusual titanaborane structures expands the known diversity of boron clusters.
  • Cluster 1's unique geometry and failure to follow established rules highlight limitations in current theoretical models.
  • Further research is needed to refine theoretical frameworks for predicting complex boron cluster structures.