Molecular Microwave Spectroscopy

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 leader

Emilio J. Cocinero

ORCID https://orcid.org/0000-0001-7632-3728

Phone +34 946 01 2529

Address

Dpto. Quimica-Física
Facultad de Ciencia y Tecnología (EHU)
Barrio Sarriena s/n. 48940 Leioa, Bizkaia (Spain)

Molecular Microwave Spectroscopy Laboratory

Group members

Emilio J. Cocinero

University Lecturer
Andrea Vázquez

PhD Student
Jiarui Ma

Postdoctoral fellow
Aran Insausti Beiro

Postdoctoral Fellow

Publications

Detection of a four-carbon sugar in interstellar space

Nat Astron (2026). DOI: 10.1038/s41550-026-02905-7
Expanding the C 3H 6O 2isomeric interstellar inventory: Discovery of lactaldehyde and methoxyacetaldehyde in G+0.693-0.027

Astronomy and Astrophysics 2026 Feb;706. doi: 10.1051/0004-6361/202558316
Laboratory rotational spectroscopy and interstellar search for the protein precursor 4-oxobutanenitrile (HCOCH2CH2CN)

Monthly Notices of the Royal Astronomical Society, 2026. 546(1), art. no. staf2224.
Stepwise hydration reveals conformational switching in chiral prolinol

J Am Chem Soc. 2025 Dec 24;147(51):47126-47137. doi: 10.1021/jacs.5c13582. Epub 2025 Dec 11. PMID: 41381997; PMCID: PMC12750993.
Quantum Tunneling Fingerprints of Chirality-Induced Symmetry Preferences in Methyl Lactate Dimer

J Am Chem Soc. 2025 May 21;147(20):17002-17009. doi: 10.1021/jacs.5c01184. Epub 2025 Apr 16. PMID: 40237444.
Evolution of Hydrogen-Bonding Networks in Glycerol Dimer and Trimer: How Close Are They to Water Clusters?

J Am Chem Soc. 2025 Nov 26;147(47):43350-43357. doi: 10.1021/jacs.5c09108. Epub 2025 Nov 14. PMID: 41234137
Rotational Spectrum and Search for Lactonitrile toward Sgr B2(N)

The Astrophysical Journal 2025 feb 981 64. Doi: 10.3847/1538-4357/adad54
Determining the Molecular Shape of Progesterone: Insights from Laser Ablation Rotational Spectroscopy

J Phys Chem Lett. 2025 Feb 27:2425-2432. doi: 10.1021/acs.jpclett.4c03618. Epub ahead of print. PMID: 40013933.
Structural effects of oxidation on sugars: glucose as a precursor of gluconolactone and glucuronolactone

Chem Commun (Camb). 2024 Apr 25. doi: 10.1039/d4cc00735b. Epub ahead of print. PMID: 38661549.
Conformationally Restricted ß-Sheet Breaker Peptides Incorporating Cyclic α-Methylisoserine Sulfamidates

Chemistry – A European JournalVolume 29, Issue 9 e202202913
Bond Length Alternation and Internal Dynamics in Model Aromatic Substituents of Lignin

ChemPhysChem. 23 (6) e202100808 (2022) doi:10.1002/cphc.202100808
Laboratory Observation of, Astrochemical Search for, and Structure of Elusive Erythrulose in the Interstellar Medium

J. Phys. Chem. Lett. 2021, 12, 4, 1352–1359, (2021) doi: 10.1021/acs.jpclett.0c03050
The Role of Non‑Covalent Interactions on Oligomer Formation: Pentamer, Hexamers and Heptamer of Difluoromethane.

Angew. Chem. Int. Ed., 60, 16894, (2021) doi: 10.1002/anie.202103900
Observation of the Unbiased Conformers of Putative DNA-Scaffold Ribosugars

ACS Cent. Sci. 6 (2), 293-303 (2020) doi: 10.1021/acscentsci.9b01277. (2020)
Conformational impact of aliphatic side chains in local anaesthetics: benzocaine, butamben and isobutamben

Chem Commun (Camb). 56(45):6094-6097. (2020) doi: 10.1039/d0cc00760a. (2020)
Degradation Mechanism and Relative Stability of Methylammonium Halide Based Perovskites Analyzed on the Basis of Acid-Base Theory

ACS Appl Mater Interfaces. 11(13):12586-12593. doi: 10.1021/acsami.9b02374. (2019)
A General Treatment to Study Molecular Complexes Stabilized by Hydrogen-, Halogen-, and Carbon-Bond Networks: Experiment and Theory of (CH2 F2 )n ???(H2 O)m

Angew Chem Int Ed Engl. 58(25):8437-8442. doi: 10.1002/anie.201902753 (2019)
Conformational Behavior of d-Lyxose in Gas and Solution Phases by Rotational and NMR Spectroscopies

J Phys Chem Lett. 10(12):3339-3345. doi: 10.1021/acs.jpclett.9b00978 (2019)
Shapes, Dynamics, and Stability of ?-Ionone and Its Two Mutants Evidenced by High-Resolution Spectroscopy in the Gas Phase

J Phys Chem Lett. 2018;9(7):1497-1502. doi: 10.1021/acs.jpclett.8b00256 (2018)
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), pp 9952–9960 DOI: 1 0.1021/jacs.8b04801 (2018)
Competing Dispersive Interactions: From Small Energy Differences to Large Structural Effects in Methyl Jasmonate and Zingerone

J Phys Chem Lett. 9(20):5906-5914. doi: 10.1021/acs.jpclett.8b02339 (2018)
Hydrogen-bond-assisted conformational selection of picaridin in the gas phase

Phys Chem Chem Phys. 2025 Jul 17;27(28):15222-15227. doi: 10.1039/d5cp02108a. PMID: 40613745.

Group members

Publications

Detection of a four-carbon sugar in interstellar space

Expanding the C 3H 6O 2isomeric interstellar inventory: Discovery of lactaldehyde and methoxyacetaldehyde in G+0.693-0.027

Laboratory rotational spectroscopy and interstellar search for the protein precursor 4-oxobutanenitrile (HCOCH2CH2CN)

Stepwise hydration reveals conformational switching in chiral prolinol

Quantum Tunneling Fingerprints of Chirality-Induced Symmetry Preferences in Methyl Lactate Dimer

Evolution of Hydrogen-Bonding Networks in Glycerol Dimer and Trimer: How Close Are They to Water Clusters?

Rotational Spectrum and Search for Lactonitrile toward Sgr B2(N)

Determining the Molecular Shape of Progesterone: Insights from Laser Ablation Rotational Spectroscopy

Structural effects of oxidation on sugars: glucose as a precursor of gluconolactone and glucuronolactone

Conformationally Restricted ß-Sheet Breaker Peptides Incorporating Cyclic α-Methylisoserine Sulfamidates

Bond Length Alternation and Internal Dynamics in Model Aromatic Substituents of Lignin

Laboratory Observation of, Astrochemical Search for, and Structure of Elusive Erythrulose in the Interstellar Medium

The Role of Non‑Covalent Interactions on Oligomer Formation: Pentamer, Hexamers and Heptamer of Difluoromethane.

Observation of the Unbiased Conformers of Putative DNA-Scaffold Ribosugars

Conformational impact of aliphatic side chains in local anaesthetics: benzocaine, butamben and isobutamben

Degradation Mechanism and Relative Stability of Methylammonium Halide Based Perovskites Analyzed on the Basis of Acid-Base Theory

A General Treatment to Study Molecular Complexes Stabilized by Hydrogen-, Halogen-, and Carbon-Bond Networks: Experiment and Theory of (CH2 F2 )n ???(H2 O)m

Conformational Behavior of d-Lyxose in Gas and Solution Phases by Rotational and NMR Spectroscopies

Shapes, Dynamics, and Stability of ?-Ionone and Its Two Mutants Evidenced by High-Resolution Spectroscopy in the Gas Phase

Water Sculpts the Distinctive Shapes and Dynamics of the Tumor-Associated Carbohydrate Tn Antigens: Implications for Their Molecular Recognition

Competing Dispersive Interactions: From Small Energy Differences to Large Structural Effects in Methyl Jasmonate and Zingerone

Hydrogen-bond-assisted conformational selection of picaridin in the gas phase