Chlorophylls - natural solar cells

TL;DR

This study uses quantum chemistry to analyze natural chlorophyll molecules, estimating their electronic transition energies and confirming their biological roles and magnesium fixation capabilities in plants.

Contribution

It provides a molecular modeling approach to understand chlorophylls' electronic properties and their biological functions in vivo.

Findings

Quantum chemistry estimates align with magnesium fixation energies.

Results support chlorophylls' role in plant photosynthesis.

Study confirms natural occurrence and stability of chlorophylls in vivo.

Abstract

A molecular modeling study was conducted on a series of six natural occurring chlorophylls. Quantum chemistry calculated orbital energies were used to estimate frequency of transitions between occupied molecular orbital and unoccupied molecular orbital energy levels of chlorophyll molecules in vivo conditions in standard (ASTMG173) environmental conditions. Obtained results are in good agreement with energies necessary to fix the Magnesium atom by chlorophyll molecules and with occurrence of chlorophylls in living vegetal organisms.