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XXII ISSSMC Natalia Berezovska XXII Galyna Puchkovska International School-Seminar Spectroscopy of Molecules and Crystals Book of Abstracts Organizers: Taras Shevchenko National University of Kyiv Institute of Physics of National Academy of Sciencies of Ukraine Minor Academy of Sciences of Ukraine The Ukrainian Physical Society under the auspice of The Representative Office of Polish Academy of Sciences in Kyiv September 27 – October 4, 2015 Chynadiyovo, Zakarpattia, Ukraine UDK 531:535 (063) The Book contains abstracts of reports presented at XXII Galyna Puchkovska International School-Seminar “Spectroscopy of Molecules and Crystals” (September 27 – October 4, 2015, Chynadiyovo, Zakarpattia, Ukraine). The abstracts cover recent advances in theoretical and experimental spectroscopy of crystalline and amorphous solids, liquids and gases, liquid crystals, polymers, nanosystems, thin films, surface and intermolecular interactions. Non- linear optical phenomena, computer simulation, as well as up-to-date spectroscopic methods and instrumentation are included. Abstracts, submitted according to ISSSMC rules, are published as received from the authors. The Book of Abstracts is approved for publication by the Scientific Council of the Institute of Physics of the National Academy of Sciences of Ukraine (Protocol No. 9 of 31.08.2015). УДК 531:535 (063) В збірнику представлені тези доповідей ХХII Міжнародної Школи-семінару імені Галини Пучковської “Спектроскопія молекул і кристалів” (27 вересня – 4 жовтня, 2015, Чинадійово, Закарпаття, Україна). В тезах викладено нові результати досліджень з основних напрямків сучасної теоретичної і експериментальної спектроскопії неметалічних кристалів, аморфних речовин, газів, рідин, рідких кристалів, полімерів, нанорозмірних систем, тонких плівок, поверхні і міжмолекулярної взаємодії. Також розглянуто такі напрямки як нелінійно-оптичні явища, комп’ютерне моделювання, нові прилади та методи спектральних досліджень. Тези, надані у відповідності до правил ISSSMC, надруковано в авторському поданні. Книга Тез рекомендована до друку Вченою радою Інституту фізики НАН України (Протокол № 9 від 31.08.2015). Committees Honorary co-chairs Prof. Leonid Hubersky (Rector of Taras Shevchenko National University of Kyiv) Prof. Henryk Ratajczak (Member of Polish Academy of Sciences) Co-chairs Prof. Leonid Yatsenko (Director of Institute of Physics of National Academy of Sciencies of Ukraine) Prof. Serhii Vyzhva (Pro-rector on scientific work of Taras Shevchenko National University of Kyiv) Oleh Lysovyi (Director of National center "Minor Academy of Sciences of Ukraine") Secretary of XXII ISSSMC Natalia Berezovska International Program Committee Prof. Valeriy Pogorelov – Chair of International Program Committee Vytautas Balevicius Nikolai Lebovka Lars Pettersson Jerzy Blazejowski Longin Lisetski George Pitsevich Ivan Blonsky Mykola Makarets Leonid Poperenko Leonid Bulavin Nikolay Malomuzh Valdas Sablinskas Igor Dmitruk Vitaliy Mikhailenko Oleksandr Slobodyanyuk Nikolas Dmitruk Vasyl Moiseyenko Henryk Sobczuk Dana Dorohoi Antonina Naumenko Mikhail Strzhemechny Galyna Dovbeshko Anatoliy Negriyko Igor Vaskivskyi Dmytro Hovorun Serhii Nedilko Valeriy Yashchuk Abduvahid Jumabaev Shavkat Otazhonov Stanislav Yezhov Local Committee Iryna Doroshenko – Co-Chair of Local Committee Tetiana Gavrilko – Co-Chair of Local Committee Mykhailo Bondar Yurii Kurioz Violetta Reznichenko Yelyzaveta Chernolevska Vladimir Melnyk Vasyl Scherbatskiy Nadia Davydova Yurii Myagchenko Valentyna Shymanovska Olena Doroshenko Taras Mykytiuk Yevhenii Vaskivskyi Vladyslav Kravchenko Vira Nesprava Contents 1. Lectures 11 2. Biomolecules & Polymers 27 3. Computer Simulation 67 4. Crystals 79 5. Liquid Crystals 119 6. Methods & Applications 139 7. Molecules 165 8. Nanoobjects 203 9. Surface 255 10. Theory 277 11. Author Index 297 Dear participants of the XXII ISSSMC, On behalf of the Organizing Committee, I invite you to take active part in this international scientific event. To our regret, XXII School-Seminar will be held not at our favorite Centre of recreation and tourism of Taras Shevchenko National University of Kyiv in Beregove, Crimea. I believe this is temporary. This year we propose you another beautiful Ukrainian place – Chynadiyovo in picturesque Zakarpattia. Well-known scientists and permanent participants of ISSSMC, Professor Longin Lisetski and Professor Oleksandr Slobodyanyuk have written forewords for this Book of Abstracts. Chair of International Program committee, Professor Valeriy Pogorelov Foreword During the last decade, we got accustomed to the Black Sea coast in Beregove, where scientists studying spectroscopy of molecules and crystals were meeting each other in the early autumn of each odd year. Rather specific landscapes of Western Crimea, with poor vegetation and gloomy beaches, did not prevent us from falling in love with that modest but enchanting corner of our land. Unfortunately, well-known tragic events in our country separated us from our familiar meeting place. However, there is nothing so bad as not to be good for something – and now we are going to gather in a much more picturesque place, with beautiful countryside, historical monuments, and wine cellars nearby. So, welcome to Chynadiyovo! Chynadiyovo has been known since 1214 as a settlement of medieval Kyiv Rus’ (the present-day Ukraine). Historical annals clearly state that in 1247 Chynadiyovo belonged to Prince Rostyslav Mykhailovych – a grandson of Prince Roman Mstyslavych, i.e., a nephew of Danylo Halytskyi – the famous ruler of Halychyna-Volyn’ princedom, who was crowned as King of Rus’ in 1254. Later, Rostyslav Mykhailovych became a son-in-law of Hungarian King Bela the Fourth, and these lands gradually fell under influence of Hungary. During its long history, Chynadiyovo knew many feudal rulers. After defeat of the so-called Rákóczi's War of Independence (1711), Charles the Sixth, Emperor of the Holy Roman Empire from the Habsburg House, granted Chynadiyovo as a present to Lothar Franz von Schönborn, Archbishop-Elector of Mainz. The main architectural attraction of Chynadiyovo, the Schönborn Palace, is a memorial of those times. Before 1944, Chynadiyovo was known under its Hungarian name – Szentmiklós, which means “St.Nicholas”. One can see that Chynadiyovo has been going, via multiple stages, along a long circular (or helical) path – from a Ukrainian village in Kyiv Rus’ to a village in modern independent Ukraine. In a similar way, our School-Seminar, which was first launched in Uzhgorod (in Zakarpattia Oblast) in 1973, has returned to its initial geographical surroundings. Chynadiyovo is located close to the officially recognized geographical center of Europe, which is considered to be also in Zakarpattia Oblast. - 7 - Foreword Looking at the map, one can notice that Chynadiyovo is nearly equidistant from the borders of several neighboring countries – Romania, Hungary, Slovakia… In the same way, the scientific scope of our School-Seminar is a natural meeting point of multiple fields and directions of modern science. Some words about the scope of our meeting. The word “spectroscopy” recalls a vast multitude of different kinds of spectra. Absorption, transmission, luminescence, selective reflection, UV, IR, X-ray, Raman, Fourier, NMR, SEIRA, SERS, Mössbauer, and maybe even NEXAFS – endless variety and infinite prospects for expansion and development. As for “molecules and crystals” – could anybody name any material object not composed of molecules and having no signs of crystalline structure? If you think about solutions and melts of some inorganic salts – but they also can be studied by spectroscopy; and even specialists in dark matter or Higgs bosons sometimes require scintillation spectra to detect their particles. Therefore, our School-Seminar is definitely a meeting of scientists dealing with the most advanced fields of modern scientific research. Many of us remember that “in good old days” there were many similar conferences and meetings organized in parallel to our School-Seminars. Non-linear optics, liquid crystals, organic semiconductors, conformations and structure of molecules…. Most of them have been gradually fading out, while our School-Seminar seems to go marching on. One can ask – why? I would take the liberty of giving an answer. There is a wide known concept that everything in our world goes successfully when it is inspired by the Saint Spirit. In our case, this inspiration from Heavens comes via the soul of Galina Puchkovska – the founder and perennial organizer of our School- Seminars. As most of the old-time participants of our School-Seminars (and many, many others), I will always remember several occasions in my life when help and advice of Galina Oleksandrivna had a decisive impact on my scientific fortune. Moreover, we are sure that Galina Puchkovska International School-Seminar “Spectroscopy of Molecules and Crystals” will be a success – both this year and on many occasions in future. Professor Longin Lisetski, ISSSMC International Program committee - 8 - Foreword Know the invisible from the visible Hryhorii Skovoroda, Ukrainian philosopher, 1722-1794 People tend to notice the coincidence of numbers, dates, places and other attributes related to the different events, and some people even give to these coincidences symbolic significance. The XXII International School- Seminar “Spectroscopy of Molecules and Crystals” (ISSSMC) is no exception. For physicists, particularly those dealing with optical radiation and its interaction with matter, cannot stay out of sight
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