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Abstract
The electronic structures of high-purity solid chlorophyll a were investigated using nitrogen K-edge X-ray absorption spectroscopy. The C=N π* peaks of the chlorins exhibited characteristic split profiles, which changed progressively with successive scans owing to radiation-induced effects. Inner-shell quantum chemical calculations for structural models of chlorophyll a with different phytol chain lengths were used to assign the electronic structures of the C=N π* peaks and discuss these spectral changes induced by radiation.
Supplementary materials
Title
Supporting Information
Description
Method for N K-edge XAS experiment; fitting analysis of N K-edge XAS spectra; method for inner-shell calculation; assignment of C=N π* peaks from inner-shell calculation of chlorophyll a; discussion of higher peaks in inner-shell calculation of chlorophyll a; calculated N K-edge inner-shell spectrum of metal-free chlorophyll a anion; and calculated N K-edge inner-shell spectrum of metal-free tetraphenylporphyrin.
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