Building blocks of the molecular universe: A coordinated laboratory and theoretical study of elemental C2X (X=N, O, Si, S) molecules

Información del proyecto

RL-ASTROPRO

Identificador del acuerdo de subvención: 894321

DOI

10.3030/894321

Proyecto cerrado

Fecha de la firma de la CE 11 Marzo 2020

Fecha de inicio 1 Septiembre 2020

Fecha de finalización 31 Agosto 2022

Financiado con arreglo a

• EXCELLENT SCIENCE - Marie Skłodowska-Curie Actions

Coste total

€ 175 572,48

Aportación de la UE

€ 175 572,48

Coordinado por

UNIVERSITEIT LEIDEN
Netherlands

Descripción del proyecto

Síntesis de componentes de la química del carbono del universo molecular

Las moléculas elementales y ubicuas de carbono C2X (X = N, O, Si, S) representan la variedad de la química del carbono en nuestro universo. El objetivo del proyecto financiado con fondos europeos RL-ASTROPRO es determinar las características espectroscópicas y cinéticas de compuestos C2X a través de estudios experimentales y teóricos conjuntos. Se prestará especial atención al cálculo y la representación analítica de superficies de energía potencial (SEP) global y se concebirán métodos teóricos novedosas, especialmente para las SEP, a fin de ofrecer información espectroscópicamente precisa de estructuras próximas al equilibrio. Los nuevos datos derivados de los análisis teóricos y experimentales resultarán en mejoras metodológicas, lo que permitirá el uso de espectros astronómicos con una repercusión mucho mayor.

Objetivo

Elemental C2X (X=N,O,Si,S) molecules are fascinating examples of the richness and variety of the carbon chemistry impinging our universe. Not by happenstance, they are ubiquitous in the interstellar medium and known to drive the C-chemitry in its colder and denser parts. With the specific goal of supplying key input data for astronomical observations and astrochemical models, this MC proposal aims at providing spectroscopic and kinetics attributes for C2Xs (X=N,O,Si,S) based on joint laboratory and theoretical studies. Special efforts will be put in the computation and analytic representation of their global potential energy surfaces (PESs). Novel theoretical strategies will be particularly devised in order for the PESs provide spectroscopically accurate information near the equilibrium structures (via rovibrational calculations), while behaving in a physically reasonable manner elsewhere to allow for reaction dynamics studies. The quality of the predicted transition frequencies will be judged and validated with high-resolution laboratory IR experiments. As part of this synergy, individual training in (experimental) spectral analysis and astrochemistry will be pursued by me, thus covering all aspects of lab astrophysics and its link to my existing knowledge on theoretical chemistry; this latter being the main facet transferred to the host university. The advances expected in both theoretical and experimental analysis separately will add up to the methodological improvements made by their in-house interplay, thence allowing the use of astronomical spectra with much higher impact. As a result, it is certain that the new data will trigger astronomical observations of such species. Besides offering a unique opportunity to develop my professional maturity, this MC work plan will provide a natural stepping stone toward lab astrophysics at which the direct link between lab-, theoretical-based research and astronomical applications is optimized at best to reach new insights

Ámbito científico (EuroSciVoc)

• ciencias naturales › ciencias físicas › astronomía › astrofísica
• ciencias naturales › ciencias físicas › astronomía › ciencias planetarias › mecánica celeste
• ciencias naturales › ciencias físicas › astronomía › astroquímica

Palabras clave

• Astrochemistry

Programa(s)

• H2020-EU.1.3. - EXCELLENT SCIENCE - Marie Skłodowska-Curie Actions PROGRAMA PRINCIPAL
  
• H2020-EU.1.3.2. - Nurturing excellence by means of cross-border and cross-sector mobility
  

Tema(s)

• MSCA-IF-2019 - Individual Fellowships
  

Régimen de financiación

MSCA-IF - Marie Skłodowska-Curie Individual Fellowships (IF)

Convocatoria de propuestas

H2020-MSCA-IF-2019

Coordinador

UNIVERSITEIT LEIDEN

• Aportación neta de la UEn: € 175 572,48
• Dirección: RAPENBURG 70 ; 2311 EZ Leiden ; Países Bajos
• Tipo de actividad: Higher or Secondary Education Establishments
• Coste total: € 175 572,48