PhotochemCAD

PhotochemCAD provides a curated database of digitized absorption and fluorescence spectra and associated spectral parameters for chlorophylls, porphyrins, chlorins, and bacteriochlorins to support quantitative and comparative photoscience research.

Key Features:

• Extensive Spectral Database: Contains 305 absorption spectra and 72 fluorescence spectra compiled from the literature, including 19 porphyrins, 109 chlorins, and 22 bacteriochlorins for absorption spectra, and 10 porphyrins, 30 chlorins, and 4 bacteriochlorins for fluorescence spectra.
• Spectral Parameters: Provides molar absorption coefficients (ε) and fluorescence quantum yields (Φf) where available for quantitative analysis.
• Coverage of Photosynthetic Tetrapyrroles: Includes specific chromophores such as chlorophyll c1, protochlorophyll a, chlorophyll a, bacteriochlorophyll c, and bacteriochlorophyll a among other photosynthetic tetrapyrroles.
• Digitization and Provenance: Spectra were digitized from print sources with baseline corrections and each database entry includes detailed literature references and solvent identities.

Scientific Applications:

• Comparative Spectral Analysis: Enables comparative studies of absorption and fluorescence properties across chlorophylls, porphyrins, chlorins, and bacteriochlorins.
• Quantitative Photophysical Calculations: Supports quantitative analyses using provided molar absorption coefficients (ε) and fluorescence quantum yields (Φf).
• Photophysical Property Investigation: Facilitates research into the photophysical behavior of photosynthetic tetrapyrroles.

Methodology:

Spectra were collected via a literature survey and digitized from print sources with baseline corrections, and each entry is annotated with literature references and solvent identities.