This study employs molecular orbital (MO) analysis, density of states (DOS) analysis, and advanced techniques such as charge density difference (CDD), transition density matrix (TDM), transition electric dipole moment density (TEDM), and transition m...
The photoelectrochemical properties of three metallofullerene-[12]cycloparaphenylene ([12]CPP) supramolecular complexes of Sc3N@C78⊂[12]CPP, Sc3N@C80⊂[12]CPP, and Sc2C2@C82⊂[12]CPP were studied. It was revealed that the photocurrent respo...
In this study, three alternating donor–acceptor (D–A) type [12]cycloparaphenylene ([12]CPP) derivatives ([12]CPP 1a, 2a, and 3a) were designed through precise molecular engineering, and their multidimensional photophysical responses and c...
Two novel sizable multicharged cationic complexes, of the formulae [(η6–-[12]CPP)[Ru(η5–-Cp)]12]Χ12 and [(η6–-[11]CPP)[Ru(η5–-Cp)]11]Χ11, CPP = cycloparaphenylene, Cp = cyclopentadienyl, X = [PF6]&minus...
Here, we present evidence that the D2h M2C50/2+ (M = Li-K, Be-Ca, Al-In, and Zn) species comprises planar hexacoordinate carbon (phC) structures that exhibit four covalent and two electrostatic interactions. These findings have been made possible usi...