ACD/UV-IR Processor

Software for processing electronic, vibrational, or rotational transition spectroscopy data.

ACD/UV-IR Processor provides the capability to manipulate and manage optical spectra in a continuous range spanning the entire optical spectroscopy range from 1 cm^-1 to 100,000 cm^-1 (100 to 10,000,000 nm) encompassing the Ultraviolet, Visible, Near-, Middle-, Far-Infrared, and Raman techniques.

• Process and interpret data from a variety of optical techniques including:
  • Absorption
  • Reflectance
  • Fluorescence
  • Phosphorescence spectra
  • Circular dichroism (CD)
  • Spectroscopic ellipsometry
• Attach chemical structures to analytical spectra, and assign peaks to chemical structural fragments
• Verify chemical structures with experimental spectra using the knowlegebase of spectra-structure correlations
• Resolve the pure component spectra of mixtures with SIMPLISMA
• Automate repetitious processing tasks with macro commands which can be applied to a spectral series as well as to a single spectrum

• Uniformly process data for greater speed and consistency
• Correlate information from other analytical techniques by linking related data in a clear hierarchical system
• Confirm structure-to-spectrum correlations with infrared or Raman verification algorithms

Resolve the number of components, and the pure component spectra for mixtures with a curve-resolving algorithm, SIMPLISMA (SIMPLe-to-use Interactive Self-modeling Mixture Analysis). SIMPLISMA is applied to a series of mixture spectra where component concentrations are varied, for example as a result of a process evolving over time. The SIMPLISMA is highly interactive, allowing the user to keep control over the entire process to obtain the best result.

Capturing and sharing infrared and Raman spectroscopic knowledge is a serious challenge in most laboratories. ACD/UV-IR Processor’s structurally aware algorithm and interface makes the correspondence between an infrared (or Raman) spectrum and a proposed structure explicit and easily available to others.

Find likely functional groups for an unknown infrared or Raman spectrum by clicking on a peak in an unknown IR or Raman spectrum to generate a list of functional groups that include the designated peak from the knowledge of characteristic group frequencies for over 1300 structural fragments (IR) and over 1100 structural fragments (Raman).

Simplify structure-to-spectrum assignment and annotation by assigning vibrational modes interactively within ACD/UV-IR Processor. With a single click, update the peak position, intensity, and full width half height (FWHH) of a band. Download a poster.

Verify structure-to-spectrum compatibility letting ACD/UV-IR Processor do routine verifications to identify problem spots requiring human intervention. Obtain a quick yes-no answer to whether a spectrum is compatible with a proposed structure according to the knowledge base, and vice versa. Download a poster.

Full List of Features

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