NMR Machines

(all information on NMR machines was borrowed from the NMR facility site, viewable here.)

Bruker Avance DRX-500

    This spectrometer has a Silicon Graphics O2 host workstation with 128 MB RAM and 4 GB disk space, HP laser printer, digital lock system, digital quadrature detection receiver system with oversampling, digital signal routing with full inverse detection capability, Z-axis field gradient module, digital sample-temperature control unit with 0.1°C precision, and a refrigerated chilling unit for efficient sample-temperature control in the range 0-20°C. Other specifications include a Magnex 500 MHz. standard-bore magnet with TMC vibration-damping legs, three RF channels (one 1H-19F and two X), full pulse-shaping capability on all three RF channels, higher-power RF amplifiers for the X-channels, a 5mm 1H-19F/BB VT probe with Z-gradient and a 5mm 1H/13C/BB inverse-detection triple-resonance VT probe with Z-gradient. This spectrometer was installed in late 1998.

    In June 2000 we had a "Level-1" solids upgrade installed on this spectrometer, which includes a higher-power 1H RF amplifier, a MAS control unit, and a 4mm CP-MAS probe. We gratefully acknowledge funding from the NSF CRIF program for this upgrade.

Bruker Avance DPX-400

    This spectrometer has similar specifications to the 500 listed above. It has a Magnex 400 MHz. standard-bore magnet with TMC vibration-damping legs, two RF channels (one 1H-19F and one X) with no pulse-shaping, and a 5mm 1H/BB inverse-detection VT probe with Z-gradient. We also have a older 5mm C/H probe and a 10mm BB probe available for use on this system (thanks to Jim Beier of Bruker!). This spectrometer was installed in late 1998.

    In January 2001 a new Bruker 5mm 1H-19F/BB Z-gradient probe was installed on this spectrometer. This will now become the standard probe for this spectrometer.

    Both of these Bruker spectrometers share via NFS a 6GB disk that is physically located on our new SGI workstation located in the RRC-East lab. This new workstation is a Silicon Graphics O2 with an R5200 processor, 19" monitor, 128 MB RAM, 9 + 6 + 4 GB of disk space, and a 2 GB Jaz disk for archiving.

Bruker AM-400 (rear right)

    Our Bruker AM-400 was installed in 1985 and has an Oxford standard-bore magnet. The system is equipped with an Aspect-3000 computer with an array processor, process controller, a 160 mB hard disk, and a BMT-100 tape backup unit. The Aspect-3000 is networked via a PC using the Open-Aspect Interface from M. R. Resources. The system has variable-temperature capability. The RF section consists of one broadband channel with ca. 250 watts pulse power for X-nuclei and 25 watts for 1H, and one 1H (decoupler) channel with ca. 40 watts CW power. The system has been modified to allow fixed attenuation of the transmitter output (for solids), and for O1 - O2 coherence (for TOCSY/ROESY). The standard probe for this spectrometer is now a Nalorac 5mm BB/1H-19F, which was installed in November 1996. Other probes available include Bruker 5mm 13C/1H, 5mm 1H-only and 10mm BB, and a Doty 5mm BB CP-MAS probe for solids.

Bruker AC-200

    Our Bruker AC-200 was originally installed in 1983 as a WP-200SY, and has an Oxford standard-bore magnet. A remanufactured AC console was obtained from M. R. Resources and installed in 1994. The system is equipped with an Aspect-3000 computer with an FT processor, pulse programmer, and a 160 mB hard disk. The Aspect-3000 is networked via a PC using the Open-Aspect Interface from M. R. Resources. The system has variable-temperature capability. The RF section consists of one broadband channel with ca. 100 watts pulse power for X-nuclei and 25 watts for 1H, and one 1H (decoupler) channel with ca. 20 watts CW power. Probes available include a Nalorac 5mm BB/1H-19F, and Bruker 5mm 13C/1H, 5mm 31P/1H, 10mm 31P/1H, 10mm 19F/1H, and 10mm BB.

Mass Spectrometry

Finnigan LCQ

    The Finnigan LCQ is an ion trap mass spectrometer equipped with electrospray ionization (ESI) and atmospheric pressure chemical ionization (APCI) ion sources, interfaced to a Thermo Separation Products liquid chromatography (LC) system.  For more on this machine, click here.

Kratos Concept IH

    The Kratos Concept IH is a double focusing magnetic sector mass spectrometer with a mass range of 10,000 and resolution up to 60,000. It is equipped with direct insertion probe and fast atom bombardment (FAB), and has electron impact (EI) and chemical ionization (CI) sources. The Mach 3 instrument control and data analysis system runs on a UNIX workstation.

X-Ray Diffractometer

    The Enraf Nonius CAD-4 diffractometer is used for determining small-molecule, single crystal X-ray structures.

FT-IR 

    The department has available a Matteson Genesis Series FT-IR.  This machine is used to record infrared spectra in the range of 400 to 4000 cm^-1.  

CD

    The Jasco J-600 CD spectropolarimeter is used to record circular dichroism spectra in the range of 175 to 1000 nm.

Digital Polarimeter

    The Jasco DIP-370 is used to measure the optical rotation of samples at 365, 405, 435, 546, 577, and 589 nm.

Computer Facilities

    The department also has a state-of-the-art computing facility.  The facility owns two Octane systems, 192 MB RAM , 4 GB internal drives each; two Indigo II systems, 64 MB and 96 MB RAM respectively, and 2 GB internal drives each; an Indy system, with 32 MB RAM, and 4.5 GB internal drive, and two HP 735s, with 112 MB and 96 MB RAM respectively, and 6 GB internal drives each.  In addition, the facility provides free access to many software programs including IRIX 6.5, Cerius2 (including MOPAC), Insightll, Gaussian 98, ADF 99, NMRPipe/NMRCompass, FELIX, GAMESS, HP-UX 10.10, as well as Fortran and C compilers.  Further information about the computers may obtained here.  More information concerning the computer facilities in general may be obtained on their homepage.  

Additional Resources

   For additional resources see the RRC homepage.