500 MHz Bruker AVANCE III HD NMR spectrometer
Request form for external booking (Sample and analysis details)
ANALYSIS REQUEST FORM AND SAFETY DATA SHEET - 500 MHz NMR_4.pdf (557.99 KB)
Make
BRUKER. Switzerland
Model
AVANCE III HD
Facility Status
Working
Date of Installation
Facility Management Division
Centre for Sophisticated Instruments and Facilities (CSIF)

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Category

  • Spectroscopy and Spectrometry » NMR Spectroscopy

Booking Details

Slot Booking Link
Link for external user slot booking
Link for internal user slot booking
Booking available for
Internal and External Both
Available Equipment/ Mode of use
500 MHz Bruker AVANCE III HD NMR spectrometer: Specifications Probes Broadband Probe: Enables observation of a wide range of nuclei across various frequency ranges. Dual Probe: Allows simultaneous or sequential detection of two nuclei (e.g., 1H and 13C)

Facility Management Team and Location

Facility In Charge
Prof. Chandra M.R. Volla
Prof. Arnab Datta
Facility Manager
Mr. Niteen Kadam
Mr. Narendra Gaikwad
Facility Operator
Mr. Vaibhav Nagare
Facility Management Members
Prof. Santosh Gharpure
Prof. Sanjog Nagarkar
Prof. Ishita Sengupta
Prof. Venkateswarlu Yarlagadda
Prof. Prbhakar Naraga
Prof. Vikram Vishal
Department
Chemistry
Lab Email ID
niteen_kadam@iitb.ac.in
Facility Location
Room No. CL-16, Gr. Floor, Chemistry Department I.I.T. Bombay, Powai, Mumbai - 400076
Lab Phone No
02225764181

Facility Features, Working Principle and Specifications

Facility Description

Facility Description

The 500 MHz Bruker AVANCE III HD NMR Spectrometer at the Department of Chemistry, IIT Bombay, is a state-of-the-art analytical instrument designed for advanced research in molecular structure and dynamics. It supports both liquid and solid-state NMR with a range of probes and variable temperature capabilities, catering to diverse academic and industrial applications.

Features

Advanced Probes:

  • 5 mm Multinuclear Probe (BBFO): For liquid-state studies of nuclei like 1H, 13C, 19F, 31P, 11B, 27Al, 77Se, 125Te, 199Hg, etc.
  • Broadband Solid-State Probe: For MAS experiments with spinning speeds up to 14 KHz.

Experiment Capabilities:

  • 1D NMR: Includes 1H, 13C, NOE, APT, DEPT, and others.
  • 2D NMR: Experiments like COSY, NOESY, TOCSY, HSQC, HMBC, DOSY, and ROESY.
  • Variable Temperature (VT): Experiments in the range of -40°C to +100°C.

Sample Types:

  • Liquid Samples: Soluble in 0.6 mL of a suitable solvent.
  • Solid Samples: Fine powders (~20 microns) for MAS-NMR.
Features Working Principle

Features:

NMR spectroscopy is based on the magnetic properties of certain atomic nuclei. When placed in a strong external magnetic field, these nuclei absorb and emit radiofrequency energy corresponding to specific nuclear transitions:

  1. External Magnetic Field Interaction: Nuclei with spin align with or against the field.
  2. Radiofrequency Energy Absorption: Transitions between energy states occur at specific frequencies.
  3. Signal Detection and Processing: Emitted signals are processed to generate spectra, revealing structural, dynamic, and environmental information.
  4. High Sensitivity & Resolution: Digital receiver technology for enhanced signal-to-noise ratio.

Working Principle:

The spectrometer uses a strong superconducting magnet (500 MHz) to align nuclear spins. A radiofrequency (RF) pulse excites the nuclei, and as they relax, they emit signals. These signals are detected by the spectrometer and processed using Fourier Transform (FT-NMR) to generate spectra, revealing molecular structures, dynamics, and interactions.

Body Specification
  • Operating Frequency: 500 MHz for 1H (other nuclei operate at corresponding frequencies).
  • Probes:

Liquid-state: BBFO probe.

Solid-state: MAS probe with a maximum spinning speed of 14 KHz.

  • Temperature Range: -40°C to +100°C (with VT accessory).

Instructions for Registration, Sample Preparation, User Instructions and Precautionary Measures

Instructions for Registration

1: Submit an Official Request Letter

  • The letter must be on your institution's official letterhead.
  • It should be signed by the Head of Department (HoD) or Research Guide.
  • The letter must confirm that the analysis is for research purposes (to qualify for academic concessions).

2: Address the Letter To

The Head, Department of Chemistry, IIT Bombay.

3: Include the Following Details in the Letter

For Solid-State NMR Analysis:

  1. Type of Solid-State NMR Analysis Required
    • Specify the nucleus of interest (e.g., ¹³C, ²⁹Si, ³¹P, etc.).
  2. Expected Spectral Range
    • Mention the required frequency or chemical shift range.
  3. Any Special Requirements
    • Mention if you need:
      • Variable Temperature (VT) Experiments
      • Cross Polarization Magic Angle Spinning (CP-MAS)
      • Any other advanced techniques.

For Solution-State NMR Analysis:

  1. Type of Solution NMR Analysis Required
    • Mention the nuclei for analysis (e.g., ¹H, ¹³C, ³¹P, ¹⁹F, etc.).
  2. Type of Experiment Required
    • Specify the required experiment (e.g., 1D NMR: ¹H, ¹³C, DEPT, APT, or 2D NMR: COSY, NOESY, HSQC, HMBC, DOSY, etc.).
  3. Sample Details
    • Provide details such as:
      • Solvent Used (e.g., CDCl₃, D₂O, DMSO-d₆, etc.)
      • Sample Concentration
      • Any Special Handling Requirements
Instruction for Sample Preparation

Liquid Samples:

  • Ensure complete solubility in 0.6 mL of the selected solvent.
  • Required amounts:
    • 1H NMR: 10-20 mg (depending on molecular weight).
    • 13C NMR: 20-30 mg for adequate signal-to-noise ratio.

Solid Samples (MAS-NMR):

  • Prepare as a fine powder (~20 microns).
  • Required quantity: 150-200 mg for optimal results.
User Instructions and Precautionary Measures

For Solid-State NMR Analysis

Before Using the Facility:

  • Familiarize yourself with the instrument manual and Standard Operating Procedures (SOPs).
  • Check the compatibility of the sample with the MAS rotor and confirm its stability under spinning conditions.

During Experiments:

  • Use the appropriate rotor and ensure the sample is packed properly.
  • Handle the rotors carefully to prevent cracking or damage.
  • Do not exceed the recommended spinning speed for the rotor type.

After Using the Facility:

  • Ensure rotors and caps are returned in good condition.
  • Report any issues to the lab personnel immediately.
  • Collect spectra and retrieve any unused sample material, if needed.

For Solution-State NMR Analysis

Before Using the Facility:

  • Read and understand the instrument manual and SOPs.
  • Prepare the sample in a deuterated solvent (e.g., CDCl₃, D₂O, DMSO-d₆) to ensure proper locking and shimming.
  • Filter the sample, if necessary, to remove insoluble particles that could interfere with the experiment.
  • Use a clean and undamaged NMR tube with the correct length and thickness.

During Experiments:

  • Handle NMR tubes carefully to prevent breakage.
  • Insert the NMR tube gently into the spinner to avoid misalignment.
  • Do not exceed the recommended sample volume (typically 0.6 mL for standard 5 mm tubes).
  • Ensure proper shimming and tuning before starting data acquisition.

After Using the Facility:

  • Remove the sample from the spectrometer and clean any spills.
  • Collect your NMR spectra and save the data for future reference.
  • Retrieve your unused sample material and dispose of waste properly.

  • Report any instrument issues or irregularities to the lab personnel.

     

Important Note for External Users:

  • External users are NOT allowed to operate the instrument.
  • Only authorized facility personnel will handle the sample preparation, experiment setup, and data acquisition for external users.
  • External users must submit their samples along with a properly filled analysis request form and the required payment (if applicable).
  • Users will receive the processed data once the analysis is complete.

Charges for Analytical Services in Different Categories

Usage Charges

 

Experiment TypeInternalUniversity (X)National Labs (3X)Industries (5X)
 Chemistry Dept. Other IITB Departments (X)   
1H50120120360600
X-nuclei502402407201200
Subsequent hour50180180540900
2D NMR5036036010801800
Solid State501200120036006000
Subsequent hour (Solid State)5075075022503750
Additional Charges for Variable Temp. (Solution/Solid)503003009001500

 

Applications

  • Major application of NMR spectroscopy lies in the area of synthetic organic chemistry, inorganic chemistry, bio-organic chemistry, bio-inorganic chemistry, polymer chemistry and organometallic chemistry. One of the main advantages of FT-NMR spectroscopy is that a number of FIDs can be accumulated and Fourier transformed, enhancing S/N ratio of the spectrum. This in turn facilitates the analysis of samples with low abundant nuclei and smaller gyro-magnetic ratios, e.g.,13C, 29Si, 15N etc.
  • NMR studies find applications in some of following areas :
  • Molecular conformation in solution
  • Quantitative analysis of mixtures containing known compounds
  • Determining the content and purity of a sample
  • Through space connectivity (Overhauser effect)

Sample Details

Chemical allowed

NA

Allowed Substrate

NA

Gases allowed

NA

Substrate Dimension

NA

Target dimension

NA

Contamination remarks

NA

Precursors/ Targets allowed

NA

SOP, Lab Policies and Other Details

Publications

NA