The recently synthesized C18 molecule demonstrates strong electron acceptor properties
similar to C60. In this work, we study computationally the ground and excited state properties …

Isolated linear carbon chains (LCCs) encapsulated by multiwalled carbon nanotubes are
studied under hydrostatic pressure (P) via resonance Raman scattering. The LCCs' …

Linear carbon chains (LCCs) consisting of sp-hybridized carbon atoms are considered a
fascinating 1D system and could be used in the fabrication of the next-generation molecular …

We have used single-crystal X-ray diffraction and time-resolved UV–NIR–IR absorption
spectroscopy to gain insights into the structures and excited-state dynamics of a rotaxane …

The synthesis of carbyne has remained an elusive goal for decades. One of the significant
reasons is that high-purity and high-concentration hydrogen end-capped polyynes (C 2n H …

Anomalous pressure dependence of Raman frequencies of carbon nanowires encapsulated
in carbon nanotubes has been recently reported. Two hypotheses have been proposed to …

To understand better the impact of donor–acceptor substitution on the properties of linearly
π-conjugated compounds, we performed a computational study on a series of variably …

Polyynes show a strictly linear relationship between the energy impact and the bending of
the polyyne chain. The energy, which is necessary to bend the acetylenic chain, decreases …

We propose a J-coupling alternation (JCA) value that is demonstrated to be a suitable
parameter to evaluate the nuclear magnetic resonance (NMR) indirect spin–spin coupling …

Carbyne as the third allotrope of carbon, attracts much attention from researchers. However,
it remains controversial for a long time. In 2003, Zhao et al. discovered that long linear …