High-Field Solid-State Mn-55 NMR Spectroscopy of Manganese Pentacarbonyls
EMSL Project ID
16114
Abstract
The study of transition-metal nuclei by solid-state NMR has become increasingly practical in recent years with the development of new pulse NMR techniques and the availability of high applied magnetic fields. Despite the favourable NMR properties of 55Mn (I = 5/2), few solid-state 55Mn NMR studies have been reported. The primary reason for the lack of studies is that 55Mn has a moderate nuclear quadrupole moment, 33 fm2, which can make solid-state NMR studies of powdered samples difficult, particularly at lower applied magnetic fields. To demonstrate the feasibility of using 55Mn NMR to routinely characterize solid manganese-containing organometallic compounds, we propose to undertake a systematic study of a series of diamagnetic manganese pentacarbonyl systems. In particular, we will examine the effect that changing the element coordinated to manganese has on both the 55Mn electric field gradient and magnetic shielding tensors. Since manganese bonds to light and heavy elements (e.g., C, Si, Ge, Sn, Pb), the experimental NMR results in conjunction with relativistic-DFT calculations will permit the investigation of the role that relativistic effects have on manganese magnetic shielding tensors. To accomplish these goals, spectra at multiple applied magnetic field strengths will be required and the use of the highest possible fields will be necessary to overcome the large second-order quadrupolar broadening that will be present.
Project Details
Project type
Capability Research
Start Date
2005-12-16
End Date
2006-04-03
Status
Closed
Released Data Link
Team
Principal Investigator
Team Members
Related Publications
Feindel KW, KJ Ooms, and RE Wasylishen. 2007. "A solid-state 55Mn NMR spectroscopy and DFT investigation of
manganese pentacarbonyl compounds." Physical Chemistry Chemical Physics. PCCP 9:1226-1238.