H2020Индивидуална стипендия2020–2022

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

„Хоризонт 2020“ — Действия „Мария Склодовска-Кюри“

Период: 2020-09-01 → 2022-08-31
Финансиране от ЕС: 175 572 €
Участници: 1
Схема: MSCA-IF

Линиите свързват координатора с партньорите.

Накратко на български

Молекулите от типа C2X (например с азот, кислород, силиций или сяра) се анализират чрез теоретични методи за определяне на техните свойства. Тези данни помагат да се разбере химичната еволюция на вселената и как се формират сложните органични съединения в космоса.

Този кратък обзор е генериран от изкуствен интелект

Кратко обяснение, генерирано от езиков модел по текста на CORDIS. Оригиналът е по-долу.

Резултати накратко

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

The focus on carbon is important as it is abundant and chemically the most relevant element in the formation of larger and complex molecules in space. On Earth, in combination with H, N and O, it provides the backbone of key compounds necessary for life like DNA, proteins, fats, and carbohydrates. In space, observations have shown that ≈90% of the ca. 200 molecules detected so far are also C-containing species, with many being even conjectured to be potential prebiotic molecules. From a bottom-up chemical perspective, it becomes clear that many of such complex organic inventory originate from a C-based ISM chemistry wherein reactions between C or heavier (X) atoms and simple elemental molecules succeed in the gas phase/grain surfaces. Among such key fundamental building blocks, C2X (X=N, O, Si, S) molecules are particularly conspicuous and are fascinating examples of the richness and variety of the carbon chemistry in the universe – they contemplate the unique ability of carbon to form robust covalent bonds with itself and with other heavier elements. Undoubtedly, a detailed knowledge of the structure and properties of such C-rich elemental molecules in space represents an ideal tool for understanding our universe’s chemical evolutionary scenario. With the specific goal of supplying key input data for laboratory surveys and astronomical observations, the research in question aims at providing highly accurate spectroscopic and reaction dynamics attributes for the X-bearing C-radicals C2X (X=N, O, Si, S) using state-of-the-art theoretical methods. The intended outcomes are expected to trigger future astronomical observations and to furnish the required input data for astrochemical models, providing deep insights into their role and influence on the composition of extraterrestrial sources. In parallel, their physico-chemical properties will be further improved.

Текст от CORDIS, на английски · Данни: CORDIS, © Европейски съюз

Цел на проекта

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

Оригинален текст от CORDIS (на английски).

Участници

UNIVERSITEIT LEIDEN · LeidenКоординаторНидерландия