Solution-phase crystallization of fullerene molecules strongly depends on the types of solvent and their ratios because solvent molecules are easily included in the crystal lattice and distort its structure. The C70 (solute)-mesitylene (solvent) system yields crystals with various morphologies and structures, such as cubes, tubes, and imperfect rods. Herein, using C60 and C70 dissolved in mesit...

We have studied single crystals of C70 by Raman scattering and photoluminescence in the pressure range from 0 to 31.1 GPa. The Raman spectrum at 31.1 GPa shows only a broad band similar to that of the amorphous carbon without any trace of the Raman lines of C70. After releasing the pressure from 31.1 GPa, the Raman and the photoluminescence spectra of the recovered sample are that of the starti...

Hollow C70 nano/submicro-crystals with a fcc lattice structure were treated under various high pressure and high temperature conditions. The energy band structure was visibly changed by the high pressure and high temperature treatment, and the luminescence of the treated C70 nano/submicro-crystals were tuned from the visible to the near infrared range. In-situ high pressure experiments at room ...

We report a small molecule tandem organic photovoltaic (OPV) cell with a high power conversion efficiency (PCE) of 7.27%. This cell contains two subcells with an identical mixed active layer of C70:5 wt%TAPC (1,1-bis-(4-bis(4-methyl-phenyl)-amino-phenyl)-cyclohexane). The performance was dramatically improved by simply inserting a thin boron subphthalocyanine chloride (SubPc) interlayer, which ...

Dissociation of an acid molecule in aqueous media is one of the most fundamental solvation processes but its details remain poorly understood at the distinct molecular level. Conducting high-pressure treatments of an open-cage fullerene C70 derivative with hydrogen fluoride (HF) in the presence of H2O, we achieved an unprecedented encapsulation of H2O·HF and H2O. Restoration of the opening yiel...

This report deals with the quantum-chemical evaluation of energetics and thermodynamics simultaneous encapsulation HF H2O by IPR (isolated pentagon rule) C70 fullerene cage, yielding H2O·HF@C70 species which were synthesized characterized recently, thus further expanding family endohedrals non-metallic encapsulates. The structures optimized at DFT (density functional theory) M06-2X/6-31++G** le...

Enthalpies of dissolution of C60 and C70 in o-xylene, toluene, and CS2 have been measured by a Calvet MS-80 microcalorimeter at temperatures from 293.15 K to 313.15 K. It was observed that the dissolution of C60 in the three organic solvents in the above range of temperatures was exothermic, while the dissolution of C70 in the same three solvents was endothermic. The enthalpy of dissolution of ...

The electronic and vibrational contributions to the static dipole polarizability of C70 fullerene are determined using the finite-field method within the density functional formalism. Large polarized Gaussian basis sets augmented with diffuse functions are used and the exchange-correlation effects are described within the Perdew-Burke-Ernzerhof generalized gradient approximation (PBE-GGA). The ...

The permutation-inversion symmetry group of fullerite C70 in the intermediate phase (at temperatures 270 K < T < 340 K) and the permutation-inversion site symmetry group of a rotating molecule C70 in a nonrigid crystal are generated. Their irreducible representations compatible with the principle of symmetry of wave functions with respect to the permutations of identical nuclei are found. Group...