Service Center NMR

The service center is divided into the research groups from Inorganic Chemistry (General and Inorganic Chemistry as well as Inorganic Solid State Chemistry) and BGNMR (Organic Chemistry I and II, Polymer Chemistry, Physical Chemistry, Biophysical Chemistry as well as Pharmaceutical Chemistry and Pharmaceutical Biotechnology). We are currently housed at  three different locations:

  • Building C4.1: Inorganic Chemistry
  • Building C4.2: Organic Chemistry
  • Building C2.3: Pharmacy (new building)

Tasks and goals of the NMR Service Centre
The NMR Service Centre mainly supports the research groups from Inorganic Chemistry and BGNMR in their research and teaching, but we also offer our services to other institutes of the Saarland University that work on NMR spectroscopic issues.

Basic information
The spectrometers are usually operated in open access mode. To participate, prior instruction by our staff (see contact details) is mandatory.
How to get access to the NMR rooms:
To access the NMR rooms you need your UdS card. We will activate it for you after security instructions.
How to run an NMR experiment:
After suitable sample preparation, label your NMR tubes and place them in the sample changer. Select the desired measurement(s) in the automation software. The measurements are then carried out in full automation. The recorded spectra are automatically processed and copied to our server. From there you can download them into the directory of your research group.
After the measurement, please delete the samples from the ICONNMR list and remove your tubes from the changer. In case you forgot to remove your samples: we empty the changer every morning and sort the samples into specially provided containers, labelled according to the respective research groups.
The sample owner does the post-processing and prints out the spectra. We provice the necessary software, MNova by Mestrelab Research, as a campus licence. Alternatively, you can also download suitable software from the internet, such as Topspin from Bruker Biospin, which is available free of charge for academic use after prior registration.
For special measurements that require a manual setup the spectrometers can also be booked on a temporary basis or we will set up these measurements for you on request. This applies in particular for measurements at high and low temperatures. Please contact us directly for this purpose.
A fee applies for the NMR service. For more details, please refer to our user regulations.

Contact Information

Inorganic Chemistry

Dr. Michael Zimmer
Building C4 1
Room -2.01
Phone. +49 681 302 4777
Email: m.zimmer(at)mx.uni-saarland.de

 

 

BGNMR

Dr. Josef Zapp
Building C2 3
Room 232
Tel. +49 681 302 57309
Email: j.zapp(at)mx.uni-saarland.de

 

 

Thomas Scherer
Building C4 2
Room  U 1.06
Tel. +49 681 302 2959
Email: t.scherer(at)mx.uni-saarland.de

 

 

NMR Spectrometer

Location Inorganic Chemistry: Building A4.1, Room -2.05

Bruker Avance III 300

Magnet: 7 T cryomagnet, UltraShield, Bruker, 2011
Console: Avance III, Bruker, 2011
Equipment:

 

  • Topspin 3.2
  • Sample changer for 16 samples (SampleXpress light)
  • Temperature control from 203K to 363K
  • 5 mm BBO sample head with auto tuning and matching (ATM)
  • 1H, 13C and heteronuclear measurements

he spectrometer works mainly in automation via sample changer (ICONNMR) according to the first-come-first-served principle. During the day it is mainly used for reaction control by 1H NMR, but 11B, 27Al, 31P, 19F measurements are also possible. Low sensitivity nuclei, mainly 13C, 29Si, 207Pb are measured overnight. HHCOSY and HMBC (13C and 29Si)  experiments are also possible. After prior registration, all experiments can be carried out as high or low temperature measurements.

 

Bruker Avance III 400

Magnet: 9.4 T cryomagnet, UltraShield, Bruker, 2002
Console: Avance III, Bruker, 2016
Equipment:

 

  • Topspin 3.5
  • Samle changer for 60 samples (SampleXpress)
  • 5 mm BBO CryoProbe Prodigy with ATM, Bruker 2018

The spectrometer works exclusively in automation via sample changer (ICONNMR) The measuring times for insensitive isotopes (13C, 29Si) are significantly reduced by using a cryo probe. During the day, the spectrometer is mainly used for sample characterisation using 1H,  11B, 27Al, 31P. In night mode, low sensitivity nuclei, (mainly 13C, 29Si, 207Pb) and 2D NMR measurements are recorded.

 

Bruker Avance III 400 WB (for solid-state NMR)

Magnet: 9.4 T cryomagnet, UltraShield, Bruker, 2014
Console: Avance III, Bruker, 2014
Equipment:

 

  • Topspin 3.5
  • MAS broadband probe from 40 to 160 MHz, Bruker, 2014

The spectrometer works exclusively in the so-called operator mode, manually controlled. Mainly direct polarised and CP/MAS measurements of the hetero nuclei 6/7Li, 13C, 29Si, 27Al, 31P, 119Sn are performed. Measurements of other elements can also be carried out on request. The measurement times are strongly dependent on the material properties and the isotope to be measured and vary in the range from minutes to several hours.

 

Bruker Neo 500

Magnet:                     11.74 T Kryomagnet, Ascend, Fa. Bruker, 2021
Konsole:                    Avance Neo, Fa. Bruker, 2021
Ausstattung:            

  • Topspin 4.11
  • Temperierung von 233K bis 373K (Bruker BCU II)
  • 5mm TCI Prodigy Cryo-Probenkopf für 1H, 2H, 13C, 15N und 19F
  • Automatische Tuning-Matching Einheit
  • Bruker SampleCase Probenwechsler für 24 Proben

Das 2021 beschaffte Spektrometer (DFG Projektnummer 447298507) ist unser Forschungsgerät. Hier laufen vorwiegend Spezialmessungen aus Pharmazie, OC und PC. Der Kryoprobenkopf erlaubt uns dabei auch die Aufnahmen gering konzentrierter Proben. Das Spektrometer kann stunden- und tageweise gebucht werden (mail an j.zapp(at)mx.uni-saarland.de).

 

Pharmacy location: Building C2.3, room 0.04

Bruker Fourier 300

Magnet:                   7 T cryomagnet, UltraShield, Bruker, 2009

 

Console: Fourier, Bruker, 2009
Equipment:

  • Topspin 3.2
  • Sample changer for 16 samples (SampleXpress light)
  • 5 mm 1H/13C probe without variable tuning and matching
  • Measurements exclusively at room temperature

The spectrometer operates exclusively in automation (ICONNMR) via sample changer according to the first-come-first-served principle. It is used for fast reaction control of simple molecules by means of 1H NMR. From concentrated samples, HHCOSY and HSQC as well as 13C  can also be measured but with lower priority.

 

Location Organic Chemistry: Building A4.2, Room U 1.05

Bruker Avance II 400

Magnet: 9.4 T cryomagnet, UltraShield Plus, Bruker, 2006
Console: Avance II, Bruker, 2006
Equipment:

 

  • Topspin 3.2
  • Sample changer for 60 samples (BACS 60)
  • Temperature control from 295 K to 373 K
  • 5 mm BBFO probe with ATM unit, Bruker 2006

The spectrometer works in automation (ICONNMR) most of the time.  It is mainly used for applications from our organic, physicochemical and pharmaceutical departments with focus on 13C and hetero nuclei, especially 19F, 31P, 77Se, 119 Sn. Long-term measurements will be performed only in night and weekend operation.

 

Bruker Avance I 500

Magnet: 11.74 T cryomagnet, UltraShield, Bruker, 2002
Console: Avance I, Bruker, 2002
AEquipment:

 

  • Topspin 2.1.8
  • Sample changer for 60 samples (BACS 60)
  • Temperature control from 278 K to 373 K
  • 5 mm TCI with ATM unit, Fa, Bruker 2011

The spectrometer works mostly in automation (ICONNMR), but can also be booked for manual operation. The focus of the work here is on inverse measurements of low-concentrated samples from OC, PC and Pharmacy.

 

Publikationen

Textbausteine für Routinemessungen an unseren NMR Spektrometer.