400 MHz Bruker AVANCE III HD NMR spectrometer
Make
BRUKER. Switzerland
Model
AVANCE III HD
Facility Status
Working
Date of Installation
Facility Management Division
Institute Central Research Facilities (ICRF)

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Category

  • Spectroscopy and Spectrometry » NMR Spectroscopy

Booking Details

Booking available for
Internal and External Both
Available Equipment/ Mode of use
he 400 MHz Bruker AVANCE NEO NMR Spectrometer is a versatile, high-performance system designed to support a wide range of research applications.

Facility Management Team and Location

Faculty In Charge
Prof. C.M.R. Volla
Prof. Arnab Datta
Facility Manager
Mr. Niteen Kadam
Mr. Narendra Gaikwad
Facility Operator
Mr. Vaibhav Nagare
Facility Management Members
Prof. C.M.R. Volla
Prof. Arnab Datta
Prof. Santosh Gharpure
Prof. Ishita Sengupta
Department
Chemistry
Lab Email ID
nmrchemiitb@gmail.com
Facility Location
Room No. CL-147, Gr. Floor, Chemistry Department I.I.T. Bombay, Powai, Mumbai - 400076
Lab Phone No
02225764154

Facility Features, Working Principle and Specifications

Facility Description

Facility Description

This facility provides advanced capabilities for the analysis of liquid samples and real-time reaction monitoring.

Advanced Probes

  • 5 mm Multinuclear i-Probe: Designed for liquid-state studies of nuclei such as ^1H, ^13C, ^19F, ^31P, ^11B, ^27Al, ^77Se, ^125Te, ^199Hg, and more.
  • 5 mm Double Resonance ^13C/^1H Probe: Optimized for experiments requiring simultaneous detection of ^1H and ^13C nuclei.

Experiment Capabilities

  • 1D NMR: Includes experiments like ^1H, ^13C, NOE, APT, DEPT, and more.
  • 2D NMR: Supports advanced techniques such as COSY, NOESY, TOCSY, HSQC, HMBC, DOSY, and ROESY.
  • Variable Temperature (VT): Enables experiments in the temperature range of -40°C to +100°C.

Sample Types

  • Liquid Samples: Requires samples to be soluble in 0.6 mL of a suitable solvent.
  • Real-Time Reaction Monitoring: Enables kinetic studies and process optimization with in situ monitoring.
  • 24-Sample Auto-Sampler: Facilitates high-throughput analysis by automating the handling of up to 24 samples.
Features Working Principle

The spectrometer uses Fourier Transform Nuclear Magnetic Resonance (FT-NMR) to provide high-resolution spectra, offering insights into molecular structure, dynamics, and interactions. Real-time reaction monitoring integrates seamlessly, enabling simultaneous acquisition of kinetic data and structural information.

Body Specification

The system features robust hardware for long-term stability, advanced cryogenics for temperature regulation, and state-of-the-art software for data acquisition and analysis.

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

Instructions for Registration

External Users

To register for accessing the facility:

  1. Submit a letter on your institution's official letterhead, signed by the Head/Guide, confirming 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:
    • Type of analysis required.
    • Solvent used.
    • Spectral range of interest.

This facility ensures precise, high-quality NMR analysis for both academic and industrial research needs.

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.
User Instructions and Precautionary Measures

Before Using the Facility:

Familiarize yourself with the instrument’s operating manual and SOPs.

Check solvent compatibility and ensure sample purity.

During Experiments:

Handle probes and accessories with care.

Ensure the sample is prepared as per the guidelines to avoid damage to the instrument.

Do not exceed recommended sample quantities or temperature ranges.

After Using the Facility:

Clean the sample holder and workspace.

Report any issues to the lab personnel immediately.

Collect your spectra and ensure no residual solvents or debris are left behind.

Precautionary Measures:

Hazardous Samples: Notify the staff in advance if your sample is hazardous (radioactive, toxic, or corrosive) and provide relevant Material Safety Data Sheets (MSDS).

Sample Condition: Ensure the sample is free from particulates to prevent damage to the probe.

External users are not allowed to operate the instrument.

Charges for Analytical Services in Different Categories

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

SOP, Lab Policies and Other Details

Publications