Assimo Maris

Thesis students work closely with the members of the research group (https://site.unibo.it/freejet/en) and, after an initial integration period, define the thesis project with the professor.

Research topics

• Characterization of the conformational space of flexible molecules through quantum mechanical calculations coupled with rotational spectroscopy in supersonic expansion.
• Study of intra- and intermolecular non-covalent interactions through quantum mechanical calculations coupled with analysis of rotational spectra of molecular complexes acquired from external partners.
• Identification of molecular species in the interstellar medium through analysis of archives of radioastronomical observations.
• Quantum mechanical simulation of properties of crystalline solids with plane waves and pseudopotentials.
• Application of Raman microscopy for the identification of fossil traces in rocks.
• Synthesis and/or spectroscopic characterization of organic molecules. This project involves an internship at BASF Italia SpA and must be planned well in advance.
• Application of near-infrared spectroscopy for quantitative analysis of complex chemical mixtures. This project involves an internship at BASF Italia SpA and must be planned well in advance.

Previous thesis

PhD thesis

1. Emanuele Pizzano
   Borsa di dottorato a tema vincolato finanziato da BASF Italia: Development and application of spectroscopic and chemometric methods to reaction and process studies, with particular emphasis on near-infrared spectroscopy. PhD Chemistry, 36th cycle.
2. Giovanna Salvitti https://orcid.org/0000-0002-5485-789X
   Microwave spectroscopy in the gas and solid phases: from rotational spectroscopy on organic molecules to the development of inorganic quantum sensors. PhD Chemistry, 36th cycle.
3. Annalisa Vigorito
   Conformational equilibria landscapes: rotational spectroscopy and modeling of isolated molecular systems. PhD Chemistry, 29th cycle, https://amsdottorato.unibo.it/8175/

MSc thesis

1. Martino Napoli
   Quantum mechanical characterization of titanium and zirconium oxides. MSc Photochemistry and Molecular Materials, 2024, co-supervisor Dr. Lorenzo Paoloni https://orcid.org/0000-0003-4683-9971
2. Chirag Chotai
   Synthesis, computational study and NIR spectroscopy of N-hydroxyl piperidine compounds. MSc Photochemistry and Molecular Materials, 2023, co-supervisor: Dr. Marzia Mazzacorati (BASF Italia)
3. Silvia Sigismondi https://orcid.org/0000-0001-5986-651X
   Analisi dello spettro rotazionale del 4-aminoacetophenone e dei suoi complessi con l'acqua. MSc Chemistry, 2023.
4. Gabriele Panizzi https://orcid.org/0000-0002-5865-7772
   Structure and nuclear quadrupole coupling interaction in hydroxylamines: The PJ-FTMW rotational spectrum of N,N-diethyl[2H]hydroxylamine. MSc Photochemistry and Molecular Materials, 2022, co-supervisor: Dr. Giovanna Salvitti https://orcid.org/0000-0002-5485-789X
5. Filippo Baroncelli https://orcid.org/0000-0003-4807-6939
   Synthesis, computational study and spectroscopic characterization of hydroxylamine derivatives. MSc Photochemistry and Molecular Materials, 2022, co-supervisor: Dr. Marzia Mazzacorati (BASF Italia). Premio di Tesi di Laurea Magistrale di Ferderchimica in memoria di Giorgio Squinzi.
6. Lorenzo Paoloni https://orcid.org/0000-0003-4683-9971
   Moti interni a larga ampiezza in anelli a 5 termini: spettroscopia rotazionale e modellizzazione di composti imidazolidonici. MSc Photochemistry and Molecular Materials, 2015, co-supervisor: Prof. Sonia Melandri https://orcid.org/0000-0003-4683-9971
7. Adriana Caracciolo https://orcid.org/0000-0002-2588-7627
   Flexible molecule of astrochemical interest: free-jet rotational spectrum of 1,2-butanediol. MSc Chemistry, 2015, co-supervisor: Prof. Sonia Melandri https://orcid.org/0000-0003-4683-9971
8. Luigi Corrado
   Studio di composti pirrolidonici tramite spettroscopia a microonde in espansione supersonica e calcoli quantomeccanici. MSc Chemistry, 2014). Co-supervisor: Prof. Sonia Melandri https://orcid.org/0000-0003-4683-9971
9. Annalisa Vigorito
   Studio di composti eterociclici tramite docking molecolare e spettroscopia rotazionale.
   MCs Chimica, 2013. Co-supervisor: Dr. Francesco Musiani https://orcid.org/0000-0003-0200-1712

Bsc thesis

1. Chiara Nicotri
   Spettro rotazionale e analisi conformazionale del complesso molecolare debolmente legato N,N-dietilidrossilamina·acqua. BCs Chimica e Chimica dei Materiali, 2022, co-supervisor: Dr. Giovanna Salvitti https://orcid.org/0000-0002-5485-789X
2. Filippo Baroncelli https://orcid.org/0000-0003-4807-6939
   Spettro rotazionale della N,N’-dimetilurea e analisi conformazionale ab initio delle forme: isolata, dimero e monoidrata. BSc Chimica e Chimica dei Materiali, 2019.
3. Efrem Piccinini
   Caratterizzazione delle forme mono- e bi-idrate dell'acrilamide tramite calcoli quantomeccanici e assegnazione dello spettro CP-FTMW. BSc Chimica e Chimica dei Materiali, 2019.
4. Silvia Sigismondi https://orcid.org/0000-0001-5986-651X
   Studio dei moti a larga ampiezza della metacrilamide tramite spettroscopia rotazionale in espansione supersonica. BSc Chimica e Chimica dei Materiali, 2019, co-supervisor: Dr. Imanol Usabiaga https://orcid.org/0000-0002-1621-8536
5. Marco Severi https://orcid.org/0000-0001-9133-939X
   Analisi conformazionale dell’1-otten-3-ol tramite spettroscopia rotazionale e metodi computazionali. BSc Chimica e Chimica dei Materiali, 2018.
6. Laura Conti
   Struttura delle molecole aromatiche: modellizzazione e spettroscopia dell’eugenolo.
   Bsc Chimica e Chimica dei Materiali, 2018, co-supervisor: Dr. Camilla Calabrese https://orcid.org/0000-0003-4299-2098https://orcid.org/0000-0003-3094-7556
7. Valentina Parravicini https://orcid.org/0000-0003-3094-7556
   Registrazione e analisi dello spettro rotazionale del g’GG 2-(metilamino)etanolo e dei suoi isotopologhi. BSc Chimica e Chimica dei Materiali, 2017, co-supervisor: Dr. Luca Evangelisti https://orcid.org/0000-0002-9502-4309
8. Ettore Paltanin https://orcid.org/0009-0007-8490-5884
   Studio della superficie di energia conformazionale dell’1,3-propanditiolo tramite spettroscopia rotazionale e calcoli quanto-meccanici. BSc Chimica e Chimica dei Materiali, co-supervisor: Dr. Camilla Calabrese https://orcid.org/0000-0003-4299-2098
9. Annalisa Vigorito
   Spettroscopia rotazionale in espansione supersonica: studio del dimero dell’acido acrilico. BSc Chimica, 2011.