Effects of peripheral and axial substitutions on electronic transitions of tin naphthalocyanines.


Tin naphthalocyanine molecules display strong absorption in the infrared region (IR), making them ideal as components of organic photodiodes and solar cells. We use density functional theory and time-dependent density functional theory (TD-DFT) at the B3LYP level to study the influence of axial and peripheral ligands on the absorption wavelength of tin… (More)
DOI: 10.1021/jp205705e


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