Comparative studies of the spectra and the second-order nonlinear polarizabilities for donor–acceptor ensembles between Zn-porphyrin/fullerene [60] and Zn-porphyrin/naphthalenediimide

The remarkable ability of B3LYP/3-21G(*) calculations to describe geometry, spectral and electrochemical properties of molecular and supramolecular porphyrin–fullerene conjugates

“…The electron transfer characteristics and geometries of porphyrin-fullerene dyads was explored computationally by several groups, including Schuster et al [51][52][53], using semi-empirical and molecular dynamics treatments, by Parusel [54] treating excited-states and spectra using semi-empirical methods, by Armaroli et al [55], treating differing spectroscopic features of various selfassembled complexes, by Sun et al [56], treating semiempirically the spectral characteristics of fulleride anions and pyrrolidine-functionalized C 60 derivatives, and by Liu et al [57] using INDO/CI methods for a comparative study of the spectra and second-order non-linear polarizabilities for donor-acceptor ensembles between Zn porphyrin-fullerene and Zn porphyrin-naphthalenediimide.…”

Carbon nanoonion-ferrocene conjugates as acceptors in organic photovoltaic devices

“…4b) shows no absorption peaks in the visible region but contains a wide absorption peak with two maxima at 286 and 291 nm consistent with previous reports. [42][43][44][45] Characteristic absorption bands of Fc-COOH are observed in the regions of 260-280, 290-370 nm and 390-490 nm. The rst band is ascribed to the p-p* transitions and metal-to-ligand charge transfer of the ferrocene, while the latter bands are assigned to the n-p* transitions of the carboxylic groups.…”

From Simplicity to Complexity in Grafting Dawson-Type Polyoxometalates on Porphyrin, Leading to the Formation of New Organic–Inorganic Hybrids for the Investigation of Third-Order Optical Nonlinearities

“…A few different strategies on porphyrin-based materials have been adopted for optimizing and improving nonlinear-optical (NLO) properties, mainly focused on diporphyrins, meso–meso and alkyne-linked porphyrins, butadiyne-linked self-assembled porphyrins, and aggregated porphyrins, , symmetric porphyrins, , asymmetric porphyrins, , and porphyrin-based hybrids. , However, further study of the NLO properties of porphyrins is restricted because porphyrins are difficult to synthesize, characterize, and purify with good yields . In order to overcome these limitations, a new strategy, viz., grafting of the porphyrin with inorganic materials, e.g., graphene, fullerene, a multiwalled carbon nanotube, a single-walled carbon nanotube, etc., has been adopted.…”

“…21,25 However, further study of the NLO properties of porphyrins is restricted because porphyrins are difficult to synthesize, characterize, and purify with good yields. 26 In order to overcome these limitations, a new strategy, viz., grafting of the porphyrin with inorganic materials, e.g., graphene, 27 fullerene, 28 a multiwalled carbon nanotube, 29 a single-walled carbon nanotube, 30 etc., has been adopted. Polyoxometalates (POMs) are inorganic nanoclusters of early-transition-metal ions with the general formula [MO x ] n , where x = 4−7 and M is V, W, Mo, Nb, and Ta with a marvelous range of physical and chemical properties.…”