Vibrational characterization of dinaphthylpolyynes: A model system for the study of end-capped sp carbon chains

Abstract

We perform a systematic investigation of the resonance and vibrational properties of naphthyl-terminated sp carbon chains (dinaphthylpolyynes) by combined multi-wavelength resonant Raman (MWRR) spectroscopy, ultraviolet-visible spectroscopy, and Fourier-transform infrared (FT-IR) spectroscopy, plus ab initio density functional theory (DFT) calculations. We show that the MWWR and FT-IR spectroscopies are particularly suited to identify chains of different lengths and different terminations, respectively. By DFT calculations, we further extend those findings to sp carbon chains end-capped by other organic structures. The present analysis shows that combined MWRR and FT-IR provide a powerful tool to draw a complete picture of chemically stabilized sp carbon chains.

Structure and chain polarization of long polyynes investigated with infrared and Raman spectroscopy

“…Furthermore, due to their structural simplicity, polyynes are molecular models that clearly highlight the intriguing physics of one‐dimensional systems . Theory has been also very supportive for the interpretation of the spectroscopic properties of several systems containing sp‐carbon chains …”

Carbon-atom wires: 1-D systems with tunable properties

“…155 A bottom-up route to CAWs connected to graphene is represented by wires endcapped by coronene molecules as shown by numerical simulations. 156 The computational investigation of CAWs bonded to moieties containing conjugated sp 2 -carbon atoms was carried out in the case of phenyl-and naphthyl-endcapped polyynes, 79,157,158 demonstrating that these systems should show new chemical/physical phenomena deserving investigation.…”

Анализ Структуры И Проводимости Изогнутых Цепочек Углерода, Полученных Методом Импульсного Плазменного Осаждения На Различных Металлических Подложках

“…Экспериментальные спектры были разложены на составляющие, описываемые гауссовой формой, как было предложено в работах [31][32][33]. Сравнивая моделированные спектры с наблюдаемыми для пленок с различными материалами подложки, можно сделать вывод, что пленка на Cu, по-видимому, принадлежит модели pd10, что соответствует исследованиям в работе [34] с включениями моделей cs3 и pd6, пленка на Мо принадлежит cd8 с небольшими долями pd10 и cd10, а пленка на W принадлежит cd10 с включением cd8 и пленка на Al соответствует структуре cd10 с включениями pd6, cs6 и cd8.…”