Information About Spectroscopy@IKU ERA Chair Project
About the Project
Spectroscopy@IKU: Manipulating and Characterizing Molecular Architectures: from Isolated Molecules to Molecular Crystals.
Funded under the ERA-Chairs program of the Horizon Europe, WIDERA initiative, Spectroscopy@IKU is the first project of its kind in Türkiye. With a budget of €2.5 million, the project is hosted by Istanbul Kültür University (IKU) over a five-year period.
The project aims to promote cutting-edge research in molecular spectroscopy, with applications in environmental science, atmospheric and space chemistry and material science. As part of the project, an advanced Centre of Excellence, IKU-SPECTRA, has been established and equipped with state-of-the-art laboratories and computing infrastructure.
In addition to its scientific mission, the project contributes to strengthening the Master's program in Physics at IKU and has actively participated in the design of the newly accredited IKU's PhD program in Physics (as of July 2025). It provides a stimulating research environment for early-stage and experienced researchers at both national and international levels.
Spectroscopy@IKU also houses Türkiye's first Matrix Isolation Spectroscopy Facility and newly developed Raman imaging and X-ray diffraction laboratories. The center offers high-quality scientific services to both academic and industrial users and aims to contribute to transforming the Istanbul region and Türkiye into a hub for knowledge-based, high-technology solutions.
The project contributes to the global research agendas such as the European Strategic Research and Innovation Agenda (SRIA) and the European Green Deal, while aiming to contribute to placing Istanbul Kültür University as a significant international actor in the field of spectroscopy.
Research Topics
Spectroscopy of Isolated Molecules and Small Aggregates
The first core research area focuses on the study of isolated molecules and small aggregates under cryogenic matrix isolation conditions. These laboratory investigations help unravel the fundamental physical and chemical processes occurring in the Earth's atmosphere and outer space.
Advanced infrared (IR) spectroscopy combined with matrix isolation techniques is used to stabilize and investigate short-lived or reactive species. Key methodologies involve vibrationally induced chemistry and quantum mechanical tunneling (QMT)-driven reactions. This includes research on conformational isomerization, sigmatropic rearrangements, radical abstractions, and carbene or nitrene chemistry — all highly relevant to environmental and astrochemical contexts.
Professor Rui Fausto, the ERA Chair Holder, is a pioneer in applying narrow-band IR laser sources for highly selective photochemical transformations and QMT processes. His work has revealed groundbreaking reaction paradigms, including light-activated molecular switches and isotope-controlled tunneling reactions.
Solid-State Polymorphism in Molecular Crystals
The second major focus is the investigation of polymorphism in molecular crystals, a phenomenon where the same chemical substance can exist in different crystalline forms with distinct physical, chemical and biological properties. This research is particularly critical for the pharmaceutical industry, where changes in crystal forms can alter a drug's efficacy or bioavailability.
Using infrared, Raman, and UV/visible spectroscopy, along with complementary methods such as X-ray diffraction (XRD) and differential scanning calorimetry (DSC), the team studies both single-component polymorphs and co-crystals composed of two or more active substances.
Theoretical and Computational Chemistry
All experimental activities are supported by advanced computational chemistry, including Density Functional Theory (DFT), Time-Dependent DFT (TD-DFT), and post-Hartree-Fock methods. Spectroscopic simulations and quantum-chemical calculations are performed using software such as GAUSSIAN, GAMESS, and CRYSTAL. Chemometrics tools like PCA and PLS-DA are also used for spectral data analysis.
Computational work is conducted using IKU's High Performance Computing Laboratory (HPC Lab), ensuring robust theoretical support for all experimental investigations.
Funded by the European Union. This project has received funding from the European Union's Horizon Europe research and innovation programme under the ERA-Chair scheme.