Facilities · Spectroscopy & Analytical Core
Spectroscopy & Analytical Core
The analytical backbone of the Institute's chemistry and materials research. NMR, high-resolution mass spectrometry, X-ray diffraction, and a range of complementary techniques — with sample submission open to external users.
Overview
The Spectroscopy & Analytical Core (SAC) provides access to NMR spectroscopy, high-resolution mass spectrometry, X-ray diffraction, and a suite of complementary analytical techniques. The core serves the Institute's five research divisions, with particularly heavy use from the Molecular & Materials Engineering (MME) and Quantum & Photonic Systems (QPS) divisions, and receives external samples from academic and industrial clients worldwide.
The SAC operates a sample submission service for NMR and mass spectrometry: clients submit samples by courier or in person and receive analytical results within the published turnaround period without visiting the facility or completing an induction. For users who wish to operate instruments directly, training and self-access booking are available for the NMR-600 and the XRD system.
The facility is managed by Dr. Ananya Chakravarti, with instrument specialist support from Dr. Pieter de Vries (NMR) and Marin Lefevre (MS and XRD). All analytical results are provided with full methodology documentation, calibration records, and raw data files.
Instruments
| Instrument | Code | Key specifications | Access mode |
|---|---|---|---|
| 600 MHz NMR Spectrometer | NMR-600 | Bruker Avance Neo 600; 5 mm BBO broadband probe; 5 mm TCI cryoprobe (¹H/¹³C/¹⁵N); variable temperature −150 °C to +150 °C; DOSY, NOESY, COSY, HSQC standard; 24-sample autosampler | Self-access (trained) + sample submission |
| High-Resolution Mass Spectrometer | MS-Q9 | Thermo Scientific Orbitrap Exploris 480 (Q-Orbitrap); ESI, APCI, APPI ionisation; resolution 480,000 FWHM; mass accuracy < 1 ppm; LC-MS coupling (Vanquish UHPLC); fragmentation (HCD, ETD, ECD) | Sample submission only (operator-run) |
| X-Ray Diffractometer | XRD-1 | Rigaku MiniFlex 7; Cu Kα radiation; 2θ range 3°–157°; Bragg-Brentano geometry; variable temperature stage (RT to 600 °C); full-pattern Rietveld refinement capability | Self-access (trained) + sample submission |
| LC-MS System | LCMS-2 | Waters Xevo TQ-S micro triple quadrupole; ESI ionisation; MRM and SRM capability; Acquity UPLC front-end; quantitation method development available | Operator-assisted only |
| FT-IR Spectrometer | FTIR-1 | Bruker Tensor 37; ATR (diamond crystal); transmission mode; 400–7500 cm⁻¹; temperature cell available; 4 cm⁻¹ resolution standard | Self-access (minimal training) |
| Raman Spectrometer | RAM-1 | Renishaw InVia; 532, 633, and 785 nm excitation; mapping stage 100 × 100 mm; 0.5 µm spatial resolution; polymer, carbon, semiconductor applications | Self-access (trained) |
| Particle Size / Zeta Potential | DLS-1 | Malvern Panalytical Zetasizer Ultra; DLS and ELS; 0.3 nm–10 µm range; temperature control 2–120 °C; zeta potential −200 to +200 mV | Self-access (trained) |
NMR-600 — detailed specifications
- Field strength
- 600 MHz (¹H Larmor frequency); 14.1 T superconducting magnet
- Console
- Bruker Avance Neo 600
- Standard probe
- 5 mm BBO broadband (¹H, ¹³C, ¹⁵N, ³¹P, ²⁹Si, and other X nuclei)
- Cryoprobe
- 5 mm TCI cryoprobe (¹H/¹³C optimised; 4× sensitivity gain vs. RT probe)
- Variable temperature
- −150 °C to +150 °C (BCU II cryostat)
- Autosampler
- SampleXpress 24-position; suitable for overnight queued runs
- Standard experiments
- ¹H, ¹³C{¹H}, DEPT, COSY, NOESY, TOCSY, HSQC, HMBC, HMQC, DOSY
- Solvent options
- CDCl₃, DMSO-d₆, D₂O, CD₃OD, CD₂Cl₂, C₆D₆ (stocked); others by arrangement
- Sample volume
- 600 µL standard; 250 µL with Shigemi insert (available on request)
- Data format
- Bruker TopSpin raw data (.fid/.ser) + processed spectra (PDF, JCAMP-DX)
- Self-access booking
- Via Facilities Portal; minimum 30-min slot; overnight slots 20:00–07:00
- External rate
- 150 cr/hr (NMR-600); sample submission flat fees also available
Sample submission
External clients may submit samples for NMR, mass spectrometry, XRD, and DLS analysis without visiting the facility or completing an induction.
How to submit
- Complete the online sample submission form (available from spectroscopy@veyra.example) specifying: compound identity (or description), molecular weight estimate, solubility, any known hazards, experiments required, and desired turnaround.
- Receive a submission reference number and sample labelling instructions by email (within one business day).
- Ship samples to: Spectroscopy & Analytical Core, Building B, 14 Aldermere Way, Arenfield AR-4400. Or deliver in person to the Building B reception.
- Results are delivered electronically (PDF report + raw data) to the email on the submission form within the agreed turnaround period.
Dangerous goods must be declared on the submission form. Radioactive, highly toxic, or biosafety-classified samples require prior approval from the facility manager.
Turnaround times
- ¹H NMR (standard)
- 1–2 working days
- ¹H + ¹³C{¹H} NMR
- 2–3 working days
- 2D NMR suite (COSY + HSQC + HMBC)
- 3–5 working days
- High-resolution MS (ESI+)
- 1–2 working days
- LC-MS with method development
- 5–8 working days
- XRD powder diffraction
- 2–4 working days
- Particle size / zeta potential
- 1–2 working days
Rush service (next business day for NMR and standard MS) available at 50% surcharge.
Related resources
Service
Scientific & Analytical Services
Full service including interpretation, report writing, and integration with other analytical techniques.
View service →Service
Equipment Rental
NMR-600 at 150 cr/hr (external), MS-Q9 at 175 cr/hr (external). Full rate card.
View rates →Research group
Catalysis & Green Chemistry Lab
Dr. Yael Brenner's group — the heaviest internal user of NMR and MS in the facility.
View group →