Nuclear Magnetic Resonance (NMR) Facility

Bruker NEO™ 500 MHz NMR with Multinuclear Prodigy Cryoprobe

• UltraShield™ Plus Ascend™ compact magnet, 5.4 cm bore
• NEO digital console with two TRX1200 transceiver channels
• Z‑gradient GRASP™ II accessory (up to 50 G/cm)
• BSVT Variable Temperature Control (0°C to 80°C)
• SampleCase automated sample changer (24 positions)
• Broadband Observe Multinuclear Prodigy Cryoprobe with digital tuning (¹⁵N–³¹P, ¹H, ¹⁹F), cold preamplifiers, and ATM
• Windows 10 workstation with TopSpin 4.0.3, ICON‑NMR, NMR‑SIM

Bruker AVANCE™ III 500 MHz NMR

• Actively shielded 5.4 cm superconducting magnet
• Digital receiver unit console
• BVT‑3200 Variable Temperature Control (down to 0°C)
• Z‑gradient GRASP™ II accessory (50 G/cm)
• SampleXpress auto‑sampler (60 samples)
• Probe options:
  • Multinuclear BBI probe (¹H observe, 109Ag–³¹P broadband decoupling)
  • BBFO PLUS SMART probe (¹⁹F observe, ¹H decoupling; ¹⁵N–³¹P)
  • 10 mm BBO probe (109Ag–³¹P with ¹H decoupling)
  • 1 mm TXI microprobe (¹H/¹³C/¹⁵N)
• Windows 7 workstation with TopSpin 3.5p17, ICON‑NMR, NMR‑SIM

The facility supports a broad range of multinuclear and multidimensional NMR experiments. Common applications include:

Routine 1D NMR

• ¹H, ¹³C, ³¹P, ¹⁹F, ¹⁵N, ²⁹Si

Dynamic NMR

• High‑ and low‑temperature studies
• Saturation transfer
• EXSY (exchange spectroscopy)

1D Multipulse Sequences

• T₁ and T₂ relaxation measurements
• ¹³C DEPT (45, 90, 135)
• Water suppression (presaturation)

Multinuclear Multidimensional NMR

• Homonuclear (2D): COSY (and variants), NOESY, ROESY, TOCSY
• Heteronuclear (2D): HSQC, HMBC, HSQC‑TOCSY

Pulsed‑Field Gradient Experiments

• DOSY diffusion measurements
• WATERGATE water suppression
• Excitation sculpting
• Gradient‑selected multidimensional experiments

Before You Arrive

Training

• Required for all users. Weekly users are encouraged to be trained as operators for faster turnaround and reduced cost.
• Prerequisites:
  • Completion of CMU laboratory safety training
  • A real sample ready to use during training
• Training is arranged on‑demand with the director, Professor Roberto R. Gil at rgil@andrew.cmu.edu.

Reservations

• Users must be trained prior to using any instrument.
• No reservation needed for the AVANCE III 500 MHz (24/7 walk‑up automation).
• NEO 500 MHz reservations are available. Please contact Professor Robertro R. Gil at rgil@andrew.cmu.edu for more information.

Canceling a Reservation: If you cannot use your reservation, you must cancel it on the calendar as soon as you can so that others may use that time.

• To cancel a reservation or part of one, make another entry for the same day and time to be canceled with "CANCEL/last name" in the text field, as well as the date and time that you added the cancelation.
• Include the time at which you made the cancellation.

Upon Arrival

• Instrument time is automatically logged.
• Users must provide a charge number (via Professor Gil).
• Report all issues immediately to NMR Center staff.

When You Are Done

• If the ICON‑NMR is run in automation mode, it will send data by email; manual users are responsible for archiving their own data.
• Bring your own backup media (e.g., flash drive).
• The NMR Center is not responsible for any data left on computer hard drives and cannot guarantee long‑term data backup.
• Remove sample, clean your workspace and dispose of all waste.

• Only NMR Center staff may perform maintenance or repairs.
• Users may not train other users.
• Facility computers are for data acquisition and NMR data processing only — no web browsing or external software.

User‑Operated Instrument Time

• $25.00/hour for CMU users
• External rates available on request

Sample Drop‑Off

• Sample submission available for an additional fee.
• Contact Professor Gil for pricing.

Publications using these instruments should acknowledge the NMR Center, the director and the assistant.

For experiments performed on NSF‑funded instruments: “Funded in part by NSF grant CHE‑9808188 and CHE‑1039870.”