The eight spectrometers listed below constitute the instruments maintained as part of the Department of Chemistry's Magnetic Resonance Facility. All instruments are made available on a first-come-first-served or scheduled basis to UW-Madison researchers (see Policies). Fees are applied for all users. Training is required to obtain access for all instruments.

New Bruker Avance III spectrometers - 400, 500DCH, 500Prodigy (installed 2012):

see our homepage for more information

 

Visit the new EPR website

ESPY - Bruker EleXsys E500 (installed June 2009)

paramagnetism, free-radical chemistry

  picture of EleXsys E500

  picture of EleXsys E500 console & magnet

  picture of EleXsys E500 host computer

 

HERMES - Varian MercuryPlus 300 (installed Dec 2004)

Auto-sample changer only (use only standard 7-9" 5mm NMR tubes; see Bob if you want to use J-Young tubes)

1H and 13C only, no VT

Varian BB probe

  picture of Mercury-300 robot and magnet

  picture of Mercury-300 host computer and console

ATHENA - Bruker AC+ 300a (installed Nov 93)

Walkup use only

For routine 1H/19F/31P/13C, no VT

Bruker 5 mm quad-nucleus probe

  picture of AC-300 (Athena)

HOMER - Bruker AC+ 300

(installed Dec 93)

Walkup use only

For routine 1H and 13C (1H only during daytime hours), no VT

Bruker 5 mm 1H/13C dual probe

  picture of AC-300 (Homer)

NATOTH - Bruker AVANCE 360 (installed Apr 99; upgraded Dec 2012 to TopSpin 1.3)

Non-routine broadband with variable temperature (-160 to +120 C)

Long-term VT, multinuclear NMR, kinetics, concentration limited samples

Bruker 5 mm BB with z-axis PFG

Bruker 10 mm BB

Bruker 5 mm HPX inverse triple resonance (1H/31P/X) with z-axis PFG

  picture of AVANCE-360

VALEN - Varian INOVA 600 (installed Apr 2000)

Long-term 2D/3D studies; highest 1H sensitivity; water suppression

 

Varian 3 mm inverse 1H/13C/15N with 3-axis PFG; VT -50 to +50 C.

Varian 5 mm inverse 1H/13C/15N with 3-axis PFG; VT -50 to +50 C.

Varian 5 mm inverse 1H/31P/X with z-axis PFG; VT -100 to +80 C.

  picture of INOVA-600 (Valen)

 

 

NARN - Varian UNITY 500 (installed 88; PFG upgrade Nov. 97; new bbext probe 5/07; retired Feb 2012)

Non-routine broadband with variable temperature (-140 to +120C)

Capable of any experiment, but optimized for direct-X detection

Varian 5 mm BB/1H switchable with z-axis PFG

  labeled picture of UNITY-500

ARES - Varian INOVA 500 (installed Apr 98; retired July 2012)

Inverse experiments, 1H kinetics, 2D studies, combinatorial chemistry, limited sample amounts

Capable of any experiment, but optimized for 1H-detected short-term experiments

Default probe: Varian 5 mm inverse 1H/13C/X with z-axis PFG: VT -100 to +80 C

Varian 5 mm broadband-switchable 1H/X with 1-axis PFG; VT -100 to +80 C

Nalorac 5 mm inverse 1H/31P/X (X tunes to 103Rh) with z-axis PFG; VT -140 to +120 C

Varian 5 mm 1H/19F: only high-field probe where 1H{19F} and 19F{1H} is possible; VT -100 to +100 C

Varian nanoprobe (Magic-Angle-Spinning), 1H/13C/15N with z-axis gradient

Nalorac 3 mm inverse 1H/13C/15N with 3-axis PFG; VT -50 to +50 C

  picture of INOVA-500 (Ares)

  picture of INOVA-500 magnet

  picture of computer lab

• MestreNova 8.1: The primary software used for all NMR workup in the routine facility, replacing NUTS in summer 2012 when the facility acquired a site license for MNova. The MestreLabs web site provides detailed information, help, and downloadable demos for Win PCs, Linux, and Macs. Installation information is provided here. Facility staff have written a brief introduction to MNova that complements the excellent on-line MNova documentation, help, and tutorials from MestreLab.
• TopSpin 3.1: The primary software used for data acquisition on our new Bruker Avance III spectrometers. Extensive guides to assist in the setup and acquisition of a variety of experiments has been written by facility staff. Bruker provides extensive documentation within TopSpin. The facility has 50 floating licenses of the processing version of TopSpin compatible with Win PC or Linux; installation information is provided here. Bruker has a Mac OSX version, but it is available only by separate purchase at the Bruker Store (~$170 for the student version).
• NUTS-1D: For many years the primary software used for 1D workup in the routine facility. NUTS replaced PCNMR4Windows for routine workup in Sept. 1998 when the facility acquired a site license for NUTS-1D. The Acorn NMR web site provides detailed information for PCs and Macs. We have written an installation guide, and provide a brief summary of NUTS commands that complements the excellent on-line NUTS documentation, help, and tutorials from Acorn.
• NUTS-2D arrayed mode provides fast 2D processing on PCs. Three individual licenses are installed on the PCs in rm 2224.
• VNMR v6.3c: the primary software for all Varian NMR instruments., except the automation 300 (hermes) running under VnmrJ 1.1D. VNMR is used for experimental setup and acquisition, and for standard 2D processing and plotting. VNMR is installed on Sun workstations located in facility. The spectrometer hosts should not be used for extensive sessions of data workup and analysis.
• WinDNMR: an excellent dynamic NMR spin simulation package. Written by Prof. Hans Reich in the Chemistry Department, WinDNMR allows realtime adjustment of simulation parameters, making it a very useful learning as well as research tool. This software is installed on all PCs throughout the facility.
• ACD HNMR/CNMR + NMR-Manager: the chemical+NMR database, chemical shift predictions, and excellent interface make the ACD software quite useful for making assignments. ChemSketch is the core chemical drawing software through which the other portions of the package are started. This software is installed on the Vir and Markeb PCs in rm 2224.
• gNMR: spin simulation package that allows import and fitting of experimental data; gNMR is useful when very accurate simulations are needed. This software is installed on one PC in rm. 2224.

  Computer Resources

• Bruker Avance III and 360 data (artemis, callisto, persephone, 360):
  • accessible at https://castor.chem.wisc.edu
  • see this document for more information about connecting to castor
• Bruker AC-300 data:
  • accessible at ftp://apollo.chem.wisc.edu (128.104.70.65)
  • this network-mounted server can only be accessed via FTP.
  • all data is mounted under AC300
  • athena and homer folders provide current data (less than 11 days)
  • DataArchives provides access by week to older data (up to 1 yr)
• Varian data:
  • accessible at ftp://apollo.chem.wisc.edu (128.104.70.65)
  • this network-mounted server can only be accessed via FTP.
  • current Mercury-300 data is stored at hermes/operator
  • after 10 days, Mercury-300 data is stored at hf/group/operator/hermes
  • data from the 500 and 600 MHz instruments is stored at hf/group/operator
• Sun resources: workstations are available for off-line processing. The INOVA-600 is hosted by Valen, the Mercury-300 by Hermes.
• Other PC resources: High-ended PC's are located in rms. 2224 and 2219A.
• Printers: Three networked HP laser printers are available: Gkar in rm. 2224 and Ngbar in rm. 2219 have 11x17 paper available; Shadowp in rm. 2221 is a standard HP Laserjet 4M+. All three printers are Postscript capable. Color printing is not available in the facility.