Solid-State NMR Study of Molybdenum-95 Electric Field Gradient and Chemical Shift Tensors in Model Compounds
EMSL Project ID
2165
Abstract
The importance of molybdenum in chemistry is widespread, ranging from its role in metalloenzymes to its significance in metal cluster carboxylates which may form a new class of molecular electronic devices. Molybdenum-95 solution NMR spectroscopy has been applied to hundreds of compounds; however, the number of solid-state studies is very limited. Solid-state Mo95 NMR studies of model compounds will allow for the characterization of the complete Mo95 electric field gradient (EFG) and chemical shift (CS) tensors, including both magnitude and orientation. This work will extend our previous Mo95 solid-state NMR studies of prototypal symmetric molybdenum compounds. To continue this work on a wider range of molybdenum compounds, high applied magnetic fields are essential given the relatively low frequency of Mo95 and the possibility of relatively large quadrupolar coupling constants. We propose to study the Mo95 EFG and CS tensors in a variety of model compounds, in particular as a function of stereochemistry in hexacoordinate Mo(0) complexes, and in a series of binuclear Mo(II) species. This line of research is aimed at providing are more complete picture of the dependence of the Mo95 NMR parameters on local molecular and electronic structure.
Project Details
Project type
Capability Research
Start Date
2001-09-19
End Date
2001-09-25
Status
Closed
Released Data Link
Team
Principal Investigator
Team Members