Thermal expansion of coronene C 24 H 12 at 185–416 K Konstantin D. Litasov • Pavel N. Gavryushkin • Alexander S. Yunoshev • Sergey V. Rashchenko • Talgat M. Inerbaev • Abdirash T. Akilbekov Received: 12 April 2014 / Accepted: 15 October 2014 Ó Akade ´miai Kiado ´, Budapest, Hungary 2014 Abstract The coefficient of the thermal expansion of P2 1 /a coronene was measured using X-ray diffraction in the temperature range from 185 to 416 K. It increases with increasing temperature from 4.8 9 10 -5 K -1 at 185 K to 4.9 9 10 -4 K -1 at 416 K. At 298 K, a = 1.9 9 10 -4 K -1 . In the temperature interval between 298 and 416 K, the thermal expansion can be described by equation a = -6.66 9 10 -4 ? 2.72 9 10 -6 T ? 4.62 T -2 . Comparison with previous data indicates that the thermal expansion of PAHs decreases with an increasing amount of benzene rings in their structure. Keywords Coronene  Polycyclic aromatic hydrocarbons  Thermal expansion  Thermodynamics Introduction Polycyclic aromatic hydrocarbons (PAHs) are widespread in natural environments and are extremely important for physical chemistry and industrial applications. In nature, they form by incomplete combustion and pyrolysis of various organic materials. PAHs are present in coals, car- bon black, crude oil, soot, soil, automobile exhaust, ciga- rette smoke, and even in fried food [1]. Considerable efforts have been made to monitor the concentrations of PAHs because of their adverse effect on human health. PAHs also occur as individual minerals accompanying ore deposits; coronene (C 24 H 12 ) comprises a major part of carpathite (up to 100 %) and pendletonite (up to 99 %) [2, 3]. In addition, PAHs are abundant in meteorites and interstellar matter [4–8], where they probably form by Fischer–Tropsch-type reactions in the solar nebulae at about 1,300 K. The reactions involve CO, H 2 , CH 4 , and possibly proceed at surfaces of dust grains using their materials as catalysts. Along with other hydrocarbons, PAHs may play a significant role in deep-seated fluids of the Earth and planetary interiors. Evidence for the forma- tion of PAHs at high pressures and temperatures comes from their inclusions in deep-seated diamond and garnet from kimberlites originated at depths of 150–250 km below the Earth’s surface [9, 10]. The physical chemistry of PAHs and their derivatives has been gaining an increased attention due to charge transport and light-emitting capabilities in ordered films and clusters, with a potential for application in optics and organic electronics [11–13]. Exposure of organic crystals to pressure and temperature can change the interatomic and intermolecular distances resulting in phase transitions and formation of new types of compounds such as conductive phases formed in pentacene at 27 GPa [14] and those predicted for benzene at extreme conditions of 190 GPa [15]. In case of coronene, a very important feature can be its application for estimating the resonance and bond energy of fullerenes [16]. In addition, the relatively open- K. D. Litasov (&)  P. N. Gavryushkin  S. V. Rashchenko V.S. Sobolev Institute of Geology and Mineralogy, SB RAS, 3 Ac. Koptyuga Ave., Novosibirsk 630090, Russia e-mail: klitasov@igm.nsc.ru K. D. Litasov  P. N. Gavryushkin  A. S. Yunoshev  S. V. Rashchenko Novosibirsk State University, 2 Pirogova St., Novosibirsk 630090, Russia A. S. Yunoshev M.A. Lavrentyev Institute of Hydrodynamics, SB RAS, 15 Lavrentieva Ave., Novosibirsk 630090, Russia T. M. Inerbaev  A. T. Akilbekov L.N. Gumilyov Eurasian National University, 2 Mirzoyana St., Astana 010008, Kazakhstan 123 J Therm Anal Calorim DOI 10.1007/s10973-014-4253-x