Browsing by Subject "Conformational analysis"
Now showing items 1-4 of 4
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Sterically induced distortions of nickel(II) porphyrins ??" Comprehensive investigation by DFT calculations and resonance Raman spectroscopy
(2018)A series of 5,15-disubstituted and 5,10,15,20-tetrasubstituted, and 5,10,15,20-tetrasubstituted-2,3,7,8,12,13,17,18-octaethyl nickel(II) porphyrins in dichloromethane is reported to comprehensively access their sterically ... -
Structural effects of meso-halogenation on porphyrins
(2021)The use of halogens in the crystal engineering of supramolecular porphyrin assemblies has been a topic of strong interest over the past decades. With this in mind we have characterized a series of direct meso-halogenated ... -
Structure and conformation of photosynthetic pigments and related compounds. Conformation analysis of chlorophyll derivatives
(Trinity College Dublin. School of Chemistry. Discipline of Chemistry, 2019)The computational program, Normal-Coordinate Structural Decomposition (NSD), provides meaningful information that allows a comparative analysis about the conformation of tetrapyrroles. Their conformation has an intrinsic ... -
Weak Interactions and Conformational Changes in Core-Protonated A 2- and A x-Type Porphyrin Dications
(2020)Individual chemical motifs are known to introduce structural distortions to the porphyrin macrocycle, be it in the core or at the periphery of the macrocycle. The interplay when introducing two or more of these known ...