Effects of reaction gel dehydration on the synthesis of Cu(NC 5H5)4VOF4 and [Cu(NC 5H5)4VOF4][Cu(NC5H 5)4(H2O)VOF4]·H2O

Margaret E. Welk, Charlotte L. Stern, Kenneth R. Poeppelmeier, Alexander J. Norquist*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

22 Scopus citations


The acentric anion, [VOF4]2-, has been incorporated into two new compounds, [Cu(NC5H5)4VOF 4][Cu(NC5H5)4(H2O) VOF4]·H2O and Cu(NC5H5) 4VOF4. Single crystals of both compounds were grown from nearly identical reaction gels under mild hydro(solvo)thermal conditions, which differed only in the inclusion or exclusion of water. While both compounds contain infinite chains, stark differences in structure and composition are observed. The composition of [VOF4]2- dictates the anion's geometry, structure-directing properties, and hydrogen-bonding capacity, and is responsible for the compositional variation between [Cu(NC5H 5)4VOF4][Cu(NC5H5) 4(H2O)VOF4]·H2O and Cu(NC5H5)4VOF4, the observed local and extended order of oxide fluoride anions, and unusual packing motifs. Primary coordination to each [VOF4]2- anion in [(Cu(NC 5H5)4VOF4][Cu(NC5H 5)4(H2O)VOF4]·H2O and Cu(NC5H5)4VOF4 is directed through frans-fluoride ligands, yet variability exists in further sites of interaction. Alignment of V-O bonds in Cu(NC5H5) 4VOF4 results in concerted packing shifts and the destruction of intrachain centers of symmetry. The resulting noncentrosymmetric solid exhibits nonlinear optical activity; the second harmonic generation of Cu(NC5H5)4VOF4 was measured to be 20% of a-quartz using the Kurtz powder technique.

Original languageEnglish (US)
Pages (from-to)956-961
Number of pages6
JournalCrystal Growth and Design
Issue number5
StatePublished - May 2007

ASJC Scopus subject areas

  • Chemistry(all)
  • Materials Science(all)
  • Condensed Matter Physics

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