Water binding to the atmospheric oxidation product methyl vinyl ketone

2022-09-19T15:57:09+02:00Tags: |

Authors: Cabezas, Carlos; Juanes, Marcos; Saragi, Rizalina T.; Lesarri, Alberto; Pena, Isabel Journal: SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY Publication date: 2022/04/05 DOI: 10.1016/j.saa.2021.120846 Abstract: Methyl vinyl ketone is one of the major oxidation products of isoprene, and therefore, an important precursor of secondary organic aerosol. Understanding its interactions with water is relevant to [...]

Rotational spectroscopy of the large saturated dinitriles hexanedinitrile and heptanedinitrile

2022-09-19T15:57:09+02:00Tags: |

Authors: Cabezas, Carlos; Pena, Isabel; Saragi, Rizalina T.; Juanes, Marcos; Lesarri, Alberto; Cernicharo, Jose Journal: SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY Publication date: 2022/04/05 DOI: 10.1016/j.saa.2021.120844 Abstract: Dinitriles with a saturated hydrocarbon skeleton and a -C N group at each end can have large electric dipole moments. Their formation can be related to highly [...]

Internal rotation analysis of the microwave and millimeter wave spectra of fluoral (CF3CHO)

2022-09-19T15:57:06+02:00Tags: |

Authors: Bermudez, C.; Motiyenko, R. A.; Cabezas, C.; Ilyushin, V. V.; Margules, L.; Endo, Y.; Guillemin, J. C. Journal: SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY Publication date: 2022/06/05 DOI: 10.1016/j.saa.2022.121071 Abstract: The rotational spectrum (4-40 GHz and 50-330 GHz) has been measured and analyzed for trifluoroacetaldehyde, also known as fluoral (CF3CHO), which is one [...]

Reactivity and internal dynamics in the Criegee intermediate CH2OO-CO2 system: A rotational study

2022-04-05T17:40:55+02:00Tags: |

Authors: Cabezas, Carlos; Daly, Adam M.; Endo, Yasuki Journal: SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY Publication date: 2021/11/05 DOI: 10.1016/j.saa.2021.119945 Abstract: The reaction system between the simplest Criegee intermediate, CH2OO, and the greenhouse gas CO2 has been investigated by Fourier transform microwave spectroscopy. The CH2OO-CO2 weakly bound complex was identified in the rotational spectrum, [...]

Rotational spectrum and internal dynamics of the hydrogen-bonded pyrrole-pyridine aromatic pair

2022-04-04T17:52:58+02:00Tags: |

Authors: Cabezas, Carlos; Peña, Isabel; Caminati, Walther Journal: SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY Publication date: 2021/03/15 DOI: 10.1016/j.saa.2020.119320 Abstract: Non-covalent interactions determine the three-dimensional structure and activity of biological molecules. In this work, the pyrrole-pyridine complex considered as a model of the N-H center dot center dot center dot N hydrogen-bonded Watson-Crick base [...]

Rotational spectrum and internal dynamics of the hydrogen-bonded pyrrole-pyridine aromatic pair

2021-04-05T18:33:24+02:00Tags: |

Authors: Cabezas, Carlos; Peña, Isabel; Caminati, Walther Journal: SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY Publication date: 2021/02/11 DOI: 10.1016/j.saa.2020.119320 Abstract: Non-covalent interactions determine the three-dimensional structure and activity of biological molecules. In this work, the pyrrole-pyridine complex considered as a model of the N-H center dot center dot center dot N hydrogen-bonded Watson-Crick base [...]

Rotational spectrum and internal dynamics of the hydrogen-bonded pyrrole-pyridine aromatic pair

2021-03-15T20:21:00+01:00Tags: |

Authors: Cabezas, Carlos; Pena, Isabel; Caminati, Walther Journal: SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY Publication date: 2021/03/15 DOI: 10.1016/j.saa.2020.119320 Abstract: Non-covalent interactions determine the three-dimensional structure and activity of biological molecules. In this work, the pyrrole-pyridine complex considered as a model of the N-H center dot center dot center dot N hydrogen-bonded Watson-Crick base [...]

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