Submillimetre-wave spectrum of diacetylene and diacetylene-d2

The empirical equilibrium structure of diacetylene ⋆

High-level quantum-chemical calculations are reported at the MP2 and CCSD(T) levels of theory for the equilibrium structure and the harmonic and anharmonic force fields of diacetylene, H−C ≡ C−C ≡ C−H. The calculations were performed employing Dunning’s hierarchy of correlation-consistent basis sets cc-pVXZ, ccpCVXZ, and cc-pwCVXZ, as well as the ANO2 basis set of Almlöf and Taylor. An empirica...

Diacetylene polymerization on a bulk insulator surface.

Molecular electronics has great potential to surpass known limitations in conventional silicon-based technologies. The development of molecular electronics devices requires reliable strategies for connecting functional molecules by wire-like structures. To this end, diacetylene polymerization has been discussed as a very promising approach for contacting single molecules with a conductive polym...

Supramolecular assembly of fluorescent phasmidic diacetylene and its photopolymerization.

The closed micellar triclinic structure of a fluorescent phasmidic diacetylene (PhDO) has been fixed by topochemical photopolymerization which induced fluorescence quenching to offer a novel method of image photopatterning.

Chromic Transitions and Nanomechanical Properties of (Poly)diacetylene Molecular Films

Infrared spectroscopy of crystalline and amorphous diacetylene (C4H2) and implications for Titan’s atmospheric composition

New laboratory spectra of crystalline and amorphous diacetylene ice have been recorded in the range of 7000–500 cm (1.4–20mm) to aid in the identification of solid diacetylene on Saturn’s moon Titan. We have established that amorphous diacetylene ice is stable only at temperatures less than 7071K. With respect to observations on Titan, the best approach would be to utilize future space-based te...