The Central Facility for Chemical Analytics, CAFCA for short, offers researchers technologies and methods of instrumental analytics as a service or for their own use, thus contributing to the success of research at the Department of Chemistry, JGU and beyond. CAFCA is a core facility in the Department of Chemistry of Faculty 09 at JGU Mainz.
CAFCA uses OpenIris to provide information about the available research equipment and as a booking and billing system for equipment in self-use mode.
CAFCA resources are listed under the provider 09_DC_CAFCA in OpenIris: Link to Open Iris scheduler for all CAFCA resources
CAFCA covers technologies that are required for the characterization of chemical compounds. The elemental composition, mass and structure of the compounds can be analyzed using various methods.
CAFCA operates various devices for the determination of the elemental composition of chemical compounds. These include organic elemental analysis (CHN) as well as the determination of other elements using atomic spectroscopy (AAS/AES) and optical emission spectroscopy (ICP-OES).
- Quantitative determination for most metals (in aqueous solution)
- Detection of atomic absorption and emission (AAS/AES)
- Flame atomization with ethylene/air and ethylene/lactides and continuum background correction
- Graphite tube atomization with Zeeman background correction
- Hydride system available
Devices
- Perkin Elmer 5100 ZL Atomic Absorption/Emission Spectrometer with Zeeman Furnace Module (link to resource in OpenIris)
- Routine analysis of the C, H and N content.
Devices
- Elementar vario EL Cube
- Quantitative determination of metals and semi-metals (in aqueous solution), except 2p elements and halogens
- Targeted analyses and overview analyses
Devices
- Agilent 5700 ICP-OES spectrometer (link to resource in OpenIris)
Mass spectrometry (MS) is a procedure for measuring the mass of molecules.
MS enables the investigation of a wide range of molecules with different chemical properties and uses different components to carry out the measurements. Common to all variants of MS is the working principle of generating gaseous ions in an ion source, then transferring these ions to a mass analyzer, which “sorts” them according to their mass-to-charge ratio m/z, and “counting” the ions using a detector.
CAFCA operates various types of mass spectrometers that are capable of characterizing a wide range of molecular properties, from small organic molecules, organometallic compounds and complexes, to (bioinspired) synthetic polymers. They are mainly used in service mode, but also partly in self-use mode.
- High-resolution double-focusing sector field mass spectrometer
- Determination of the exact molecular mass (HR-MS) and fragmentation pattern of organometallic (d- and f-elements), organoelemental and organic compounds up to a mass of 6000 Da
- Available ionization methods: EI (organic molecules), CI and FD (organometallic compounds and coordination compounds)
- enables the measurement of reactive, air- and moisture-sensitive (organometallic, organoelemental) samples, which are often undetectable with conventional MS systems without fragmentation
Devices
- Thermo Fisher DFS FD/LIFDI/FI-MS spectrometer (Link to resource in OpenIris)
- High-resolution time-of-flight mass spectrometer
- Determination of the exact molecular mass (HR-MS) and fragmentation pattern of organic and organometallic compounds up to a mass-to-charge ratio of 3200 m/z
- Available ionization methods: ESI, APCI, depending on the polarity and molecular mass of the target compounds
- Coupling with HPLC system (Agilent Technologies 1260 Infinity II) with various analytical separation columns on request
Devices
- Agilent Technologies 6545 HRAM Q-ToF MS (Link to resource in OpenIris)
- Matrix-Assisted Laser Desorption Ionization Time-of-Flight Mass Spectrometer with Reflectron and LIFT Capability
- Determinatino of molecular mass, molecular mass distribution, fragmentation pattern and end groups of (bioinspired) synthetic polymers up to a mass-to-charge ratio of 100000-150000 m/z
- equipped with a pulsed UV laser with a wavelength of 355 nm
- Linear, Reflectron or ToF/ToF modes possible in positive and negative ion mode
Devices
- Bruker AutoFlex Max MALDI-TOF/TOF (Link to the resource in OpenIris)
- Interface for analysis of TLC plates
- rapid determination of the molecular mass of substances in individual TLC spots up to a mass-to-charge ratio of 2000 m/z
Devices
- Advion expression CMS with Plate Express TLC interface (Link to resource in OpenIris)
- Direct-Analysis-in-Real-Time (DART) ion source for the analysis of surfaces
- Determination of the molecular mass of substances, which can be desorbed thermally, up to a mass-to-charge ratio of 1000 m/z
- Analyses in positive negative ion mode possible
Devices
- Waters QDa MS with IonSense DART ion source (Link to resource in OpenIris)
Nuclear magnetic resonance spectroscopy (NMR) nuclear magnetic resonance) is a spectroscopic method for investigating the electronic environment of individual atoms and their interactions with neighboring atoms. It enables the structure of molecules to be determined and the dynamics of molecules to be investigated, as well as determining concentrations.
Nuclear magnetic resonance forms the basis of NMR and represents a resonant interaction between the magnetic moment of atomic nuclei of the sample, which is located in a strong static magnetic field, with a high-frequency alternating magnetic field. Isotopes that have a non-zero nuclear spin and therefore a magnetic moment in their ground state are accessible to this method.
CAFCA operates various NMR spectrometers that can analyze dissolved substances and solids at different frequencies of the alternating magnetic field, both as a service and for self-use.
- equipped with three probe heads (2.5 mm high range 100.0 – 163.0 MHz, 4.0 mm high range 94.0 – 163.0 MHz and 7.0 mm low range 18.6 – 79.5 MHz)
- Static and Magic Angle Spinning (MAS) measurements up to 30 kHz for almost all measurable NMR nuclei
- Sample types: Powders (ordered and disordered solid systems), gels, viscous and soft substances, solutions, etc.
- Single-pulse excitation (with or without decoupling) and/or cross-polarization for I=1/2 cores ¹H-X are used as standard
- Special experiments: 2D, VT (variable temperature), etc. are possible by arrangement
- Simulations of the measured rotational sideband spectra or quadrupole spectra are possible after consultation
Devices
- Bruker Avance DSC 400 MHz NMR solid-state NMR spectrometer (Link to resource in OpenIris)
- Measurements for a large number of NMR-active nuclei in solution within the frequency range of the installed probe head (5.0 mm BBO H/F/BB)
- Nuclear magnetic resonance measurements from 1Hto 119Ag(400.3 to 18.6 MHz)
- Routine analyses(1H, 11B, 13C, 19F, 31P, water suppression, background suppression, DEPT and APT, relaxation measurements)
- 2D correlations (HSQC, HMQC and HMBC) of 1Hand 19F with X-cores
- Quantitative and variable temperature measurements, kinetics, titrations, diffusion
- Introductory courses in NMR Spectroscopy
Devices
- Bruker Avance NEO 400 MHz solution NMR spectrometer (Link to resource in OpenIris)
- solNMR2 operates four high-resolution NMR spectrometers and offers all common one- and two-dimensional NMR experiments in solution
- In addition to 1Hand 13C, measurements of nuclei 11B, 15N, 19Fand 31Pare routinely performed (others on request)
Devices
- Bruker Avance III HD 300 (Link to the resource in OpenIris)
- Bruker Avance II 400 (Link to the resource in OpenIris)
- Bruker Avance III HD 400 (Link to the resource in OpenIris)
- Bruker Avance III 600 with TCI-CryoProbe (Link to the resource in OpenIris)
X-ray structure analysis determines the crystal structure, i.e. the atomic structure of a crystal, by diffraction of monochromatic X-rays on the crystal lattice.
The observed diffraction pattern allows the crystal structure to be calculated. The crystal lattice, i.e. the geometry of the unit cell, can be derived from the angles at which the diffraction maxima are observed. Knowing the intensity of the diffraction maxima makes it possible to calculate the arrangement of the atoms within the unit cell. Ideally, a single crystal of the substance under investigation is used for the diffraction experiments.
CAFCA offers Single Crystal X-Ray Diffraction (SXD) analysis of organic and organometallic substances as a service.
- The prerequisite for measurements on the single-crystal diffractometer is a single crystal of the compound to be analyzed
- During the measurement, the crystals are cooled with nitrogen
- Measurement and evaluation are carried out as a service
- List of measurement parameters, lattice constants, atomic coordinates, a list of bond lengths, bond and torsion angles are provided as the analysis result
- Electronic images of the molecule and the unit cell in different projections
Devices
- STOE IPDS-2T with Mo-Radiation (Link to resource in OpenIris)
| Name | Responsibilities | Telephone | Building | Room | |
|---|---|---|---|---|---|
| Dr. Christopher Kampf | Mass Spectrometry, Inductively Coupled Plasma-Optical Emission Spectroscopy | kampfc@uni-mainz.de | (06131) 39-22417 | 2224 | 00-133 |
| Dr. Johannes Liermann | NMR Spectroscopy, Elemental Analysis | liermann@uni-mainz.de | (06131) 39-25466 | 2224 | 00-133 |
| Dr. Mihail Mondeshki | Atomic Spectroscopy, Mass Spectrometry, NMR Spectroscopy | mondeshk@uni-mainz.de | (06131) 39-25885 | 2224 | 00-124 |
| Dr. Dieter Schollmeyer | Single-Crystal X-Ray Structure Analysis | scholli@uni-mainz.de | (06131) 39-25320 | 2225 | 00-134 |