Molecular Microwave Spectroscopy Laboratory

Group leader
Emilio J. Cocinero
Phone
+34 946 012 529
Address

Dpto. Química Física, Facultad de Ciencia y Tecnología (UPV/EHU)

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Research goal

Our research focuses on the accurate structural characterisation of biomolecules and molecules of astrophysical interest and their molecular interactions by means of state-of-the-art spectroscopic techniques in the gas phase. To achieve this we use different methodologies ranging from microwave spectroscopy, laser spectroscopy and computational modelling. The group has an extensive network of national and international collaborations.

Group members
Publications

Aran Insausti, Elena R. Alonso, Belen Tercero, José I. Santos, Camilla Calabrese, Natalja Vogt, Francisco Corzana, Jean Demaison, Jose Cernicharo, and Emilio J. Cocinero*

Laboratory Observation of, Astrochemical Search for, and Structure of Elusive Erythrulose in the Interstellar Medium. J. Phys. Chem. Lett. 2021, 12, 4, 1352–1359
https://doi.org/10.1021/acs.jpclett.0c03050

Camilla Calabrese, Berhane Temelso, Imanol Usabiaga, Nathan A. Seifert,Francisco J. Basterretxea, Giacomo Prampolini, George C. Shields, Brooks H. Pate,*Luca Evangelisti,* and Emilio J. Cocinero*

The Role of Non-Covalent Interactions on Cluster Formation: Pentamer, Hexamers and Heptamer of Difluoromethane. 2021
https://doi.org/10.1002/anie.202103900

C. Calabrese, I. Uriarte, A. Insausti, M. Vallejo-López, F. J. Basterretxea, S. A. Chchrane, B. G. Davis, F. Corzana, E. J. Cocinero. ACS Cent. Sci, in press (2020). (Journal Cover).

Observation of the Unbiased Conformers of Putative DNA-Scaffold Ribosugars. ACS Cent. Sci. 2020, 6, 2, 293–303
https://doi.org/10.1021/acscentsci.9b01277

A. Insausti, C. Calabrese, M. Parra, I. Usabiaga, M. Vallejo-López, P. E ́cija, F. J. Basterretxea, J.-U. Grabow, W. Caminati, A. Lesarri and E. J. Cocinero

Conformational impact of aliphatic side chains in local anaesthetics: benzocaine, butamben and isobutamben. Chem. Commun., 2020,56, 6094-6097
DOI: 10.1039/d0cc00760a

E. J. Juarez-Perez, L. K. Ono, I. Uriarte, E. J. Cocinero and Y. Qi

Degradation Mechanism and Relative Stability of Methylammonium Halide Based Perovskites Analyzed on the Basis of Acid–Base Theory. ACS Appl. Mater. Interfaces 2019, 11, 13, 12586–12593
https://doi.org/10.1021/acsami.9b02374

C. Calabrese, W. Li, G. Prampolini, L. Evangelisti, I. Uriarte, I. Cacelli, S. Melandri, E. J. Cocinero

A General Treatment to Study Molecular Complexes Stabilized by Hydrogen‐, Halogen‐, and Carbon‐Bond Networks: Experiment and Theory of (CH2F2)n⋅⋅⋅(H2O)m Angew. Chem. Int. Ed, 131, 8525-8530 (2019)
https://doi.org/10.1002/ange.201902753

C. Calabrese, P. Écija, I. Compañón, M. Vallejo-López, Á. Cimas, M. Parra, F. J. Basterretxea, J. I. Santos, J. Jiménez-Barbero, A. Lesarri, F. Corzana, E. J. Cocinero

Conformational Behavior of D-Lyxose in Gas and Solution Phases by Rotational and NMR Spectroscopies J. Phys. Chem. Lett. 2019, 10, 12, 3339–3345
https://doi.org/10.1021/acs.jpclett.9b00978

I. Uriarte, S. Melandri, A. Maris, C. Calabrese and E. J. Cocinero Shapes,

Shapes, Dynamics, and Stability of β-Ionone and Its Two Mutants Evidenced by High-Resolution Spectroscopy in the Gas Phase. J. Phys. Chem. Lett. 2018, 9, 7, 1497–1502
https://doi.org/10.1021/acs.jpclett.8b00256

I. A. Bermejo, I. Usabiaga, I. Compañón, J. Castro-López, A. Insausti, J. A. Fernández, A. Avenoza, J. H. Busto, J. Jiménez-Barbero, J. L. Asensio, J. M. Peregrina, G. Jiménez-Osés, R. Hurtado-Guerrero, E. J. Cocinero, and Francisco Corzana

Water Sculpts the Distinctive Shapes and Dynamics of the Tumor-Associated Carbohydrate Tn Antigens: Implications for Their Molecular Recognition J. Am. Chem. Soc. 2018, 140, 31, 9952-9960
https://doi.org/10.1021/jacs.8b04801

I. Uriarte, A. Insausti, A. Jabri, H. Mouhib, I. Alkorta, I. Kleiner and E. J. Cocinero

Competing Dispersive Interactions: From Small Energy Differences to Large Structural Effects in Methyl Jasmonate and Zingerone J. Phys. Chem. Lett. 2018, 9, 20, 5906–5914
https://doi.org/10.1021/acs.jpclett.8b02339