On the coordination in metal saccharinates. Implications for bond-order models of metal-ligand binding

Panče Naumov, Gligor Jovanovski

Research output: Contribution to journalArticlepeer-review

Abstract

The structures of saccharinates retrieved from the Cambridge Structural Database were used to discuss the coordination properties of deprotonated saccharin. The series of the first-row metal(II) saccharinato isomorphs and of triphenylstannyl saccharinates were analyzed within the bond valence model (BVM). The "relative radius" parameter of the saccharinato ligand for the M(Ow)4(Nsac)2 type of coordination was estimated (1.424 Å) from correlation of the metal - N(saccharinato) distances with the Shannon-Prewitt ionic radii. Making use of the exponential bond distance-bond order (BDBO) relation of Pauling within the BVM, ligand-specific mean bond order sums (MBOS) were recently derived for several ligands. Coupled with the coordination number (CN), they are predictive for the metal-ligand bond lengths. Using parameterized power function instead of the exponential form of the BDBO relation, a new set of MBOS's is derived here: isothiocyanate 2.56 ± 0.06; pyridine 1.84 ± 0.16; imidazole 2.02 ± 0.12; chloride 2.05 ± 0.10; water 1.54 ± 0.03. The two sets of MBOS values can be used to predict the metal - ligand distances nearly equally well, showing that the distances are solely predetermined by the MBOS and CN values, independently of the particular form of BDBO relation used.

Original languageEnglish (US)
Pages (from-to)63-79
Number of pages17
JournalJournal of Coordination Chemistry
Volume54
Issue number1
DOIs
StatePublished - 2001

Keywords

  • Bond length
  • Bond order
  • Bond valence model
  • Coordination
  • Saccharinates

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Materials Chemistry

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