Nadia Balucani

Nadia Balucani
Università degli Studi di Perugia | UNIPG · Department of Chemistry

PhD in Physical Chemistry

About

320
Publications
26,802
Reads
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8,344
Citations
Citations since 2016
149 Research Items
4108 Citations
20162017201820192020202120220200400600800
20162017201820192020202120220200400600800
20162017201820192020202120220200400600800
20162017201820192020202120220200400600800
Introduction
Research interests: gas-phase chemistry, reaction dynamics, astrochemistry, prebiotic chemistry, combustion chemistry, plasma chemistry
Additional affiliations
June 2013 - August 2013
University Joseph Fourier - Grenoble 1
Position
  • Professeur Invite
July 2012 - July 2012
University of Hawaiʻi at Mānoa
Position
  • University of Hawaii at Mānoa
Description
  • Visiting Professor
June 2007 - July 2007
Université de Rennes 1
Description
  • Professeur Invite'
Education
August 1994 - June 1995
Univesity of California, Berkeley, USA
Field of study
  • Physical Chemistry
November 1989 - October 1992
Università degli Studi di Perugia
Field of study
  • Physical Chemistry
November 1984 - July 1989
Università degli Studi di Perugia
Field of study
  • Chemistry

Publications

Publications (320)
Preprint
Full-text available
Despite the detection of numerous interstellar complex organic molecules (iCOMs) for decades, it is still a matter of debate whether they are synthesized in the gas-phase or on the icy surface of interstellar grains. In the past, molecular deuteration has been used to constrain the formation paths of small and abundant hydrogenated interstellar spe...
Article
Full-text available
Two quantum effects can enable reactions to take place at energies below the barrier separating reactants from products: tunnelling and intersystem crossing between coupled potential energy surfaces. Here we show that intersystem crossing in the region between the pre-reactive complex and the reaction barrier can control the rate of bimolecular rea...
Article
Full-text available
We report on a combined experimental and theoretical investigation of the N(2D) + CH2CCH2 (allene) reaction of relevance in the atmospheric chemistry of Titan. Experimentally, the reaction was investigated (i) under single-collision conditions by the crossed molecular beams (CMB) scattering method with mass spectrometric detection and time-of-fligh...
Article
Full-text available
The reaction of electronically excited nitrogen atoms, N(2D), with vinyl cyanide, CH2CHCN, has been investigated under single-collision conditions by the crossed molecular beam (CMB) scattering method with mass spectrometric detection and time-of-flight (TOF) analysis at the collision energy, Ec, of 31.4 kJ/mol. Synergistic electronic structure cal...
Article
Aims. Methanol is a ubiquitous species commonly found in the molecular interstellar medium. It is also a crucial seed species for the build-up of chemical complexity in star forming regions. Thus, understanding how its abundance evolves during the star formation process and whether it enriches the emerging planetary system is of paramount importanc...
Chapter
The interaction between oxygen atoms in their first electronically excited state 1D with toluene has been characterized by electronic structure calculations. We focused our attention, in particular, on the different pathways leading to the formation of CO. Six different reaction channels have been investigated. Our results suggest that, while for a...
Chapter
We have performed a theoretical investigation of the S+(4S) + SiH2(1A1) reaction, a possible formation route of the HSiS+ and SiSH+ cations that are alleged to be precursors of interstellar silicon sulfide, SiS. Electronic structure calculations allowed us to characterize the relevant features of the potential energy surface of the system and ident...
Article
Full-text available
Aims. Methanol is a ubiquitous species commonly found in the molecular interstellar medium. It is also a crucial seed species for the build-up of chemical complexity in star forming regions. Thus, understanding how its abundance evolves during the star formation process and whether it enriches the emerging planetary system is of paramount importanc...
Article
Atomic oxygen reactions can contribute significantly to the oxidation of unsaturated aliphatic and aromatic hydrocarbons. The reaction mechanism is started by electrophilic O atom addition to the unsaturated bond(s) to form "chemically activated" triplet oxy-intermediate(s), which can evolve adiabatically on the triplet potential energy surface (PE...
Article
Full-text available
The chemical diversity of low-mass protostellar sources has so far been recognized, and environmental effects are invoked as its origin. In this context, observations of isolated protostellar sources without the influence of nearby objects are of particular importance. Here, we report the chemical and physical structures of the low-mass Class 0 pro...
Preprint
Planetary systems such as our own are formed after a long process where matter condenses from diffuse clouds to stars, planets, asteroids, comets and residual dust, undergoing dramatic changes in physical and chemical state in less than a few million years. Several studies have shown that the chemical composition during the early formation of a Sol...
Preprint
Full-text available
Methanol is a ubiquitous species commonly found in the molecular interstellar medium. It is also a crucial seed species for the building-up of the chemical complexity in star forming regions. Thus, understanding how its abundance evolves during the star formation process and whether it enriches the emerging planetary system is of paramount importan...
Article
Full-text available
Context. Protostellar jets are an important agent of star formation feedback, tightly connected with the mass-accretion process. The history of jet formation and mass ejection provides constraints on the mass accretion history and on the nature of the driving source. Aims. We characterize the time-variability of the mass-ejection phenomena at work...
Article
Full-text available
The reaction between cyano radicals (CN, X2Σ+) and cyanoethene (C2H3CN) has been investigated by a combined approach coupling crossed molecular beam (CMB) experiments with mass spectrometric detection and time-of-flight analysis at a collision energy of 44.6 kJ mol-1 and electronic structure calculations to determine the relevant potential energy s...
Article
Full-text available
Glycine (Gly), NH2CH2COOH, is the simplest amino acid. Although it has not been directly detected in the interstellar gas-phase medium, it has been identified in comets and meteorites, and its synthesis in these environments has been simulated in terrestrial laboratory experiments. Likewise, condensation of Gly to form peptides in scenarios resembl...
Article
The formation of the interstellar complex organic molecules (iCOMs) is a hot topic in astrochemistry. One of the main paradigms trying to reproduce the observations postulates that iCOMs are formed on the ice mantles covering the interstellar dust grains as a result of radical–radical coupling reactions. We investigate iCOM formation on the icy sur...
Article
Full-text available
Context. Deuteration is a precious tool for investigating the origin and formation routes of interstellar complex organic molecules in the different stages of the star formation process. Methyl cyanide (CH 3 CN) is one of the most abundant interstellar complex organic molecules (iCOMs); it is of particular interest because it is among the very few...
Preprint
Full-text available
Protostellar jets are an important agent of star formation feedback, tightly connected with the mass-accretion process. The history of jet formation and mass-ejection provides constraints on the mass accretion history and the nature of the driving source. We want to characterize the time-variability of the mass-ejection phenomena at work in the Cla...
Article
Full-text available
Ethanol (CH3CH2OH) is a relatively common molecule, often found in star-forming regions. Recent studies suggest that it could be a parent molecule of several so-called interstellar complex organic molecules (iCOMs). However, the formation route of this species remains under debate. In the present work, we study the formation of ethanol through the...
Article
Full-text available
We report a study of the low-mass Class 0 multiple system VLA 1623AB in the Ophiuchus star-forming region, using H ¹³ CO ⁺ ( J = 3–2), CS ( J = 5–4), and CCH ( N = 3–2) lines as part of the ALMA Large Program FAUST. The analysis of the velocity fields revealed the rotation motion in the envelope and the velocity gradients in the outflows (about 200...
Preprint
Full-text available
Ethanol (CH$_3$CH$_2$OH) is a relatively common molecule, often found in star forming regions. Recent studies suggest that it could be a parent molecule of several so-called interstellar complex organic molecules (iCOMs). Yet, the formation route of this species remains debated. In the present work, we study the formation of ethanol through the rea...
Preprint
We studied the line emission from CH3CN and its deuterated isotopologue CH$_2$DCN towards the prototypical Class I object SVS13-A, where the deuteration of a large number of species has already been reported. Our goal is to measure the CH$_3$CN deuteration in a Class I protostar, for the first time, in order to constrain the CH$_3$CN formation path...
Article
Full-text available
Phosphorus is an element of primary importance for all living creatures, being present in many biological activities in the form of phosphate (PO 4 3−). However, there are still open questions about the origin of this specific element and on the transformation that allowed it to be incorporated in biological systems. The most probable source of pre...
Article
Context. One of the biggest unsolved mysteries of modern astrochemistry is understanding chemical formation pathways in the interstellar medium (ISM) and circumstellar environments. The detections (or even nondetections) of molecules composed of low-abundance atomic species (such as S, P, Si, and Mg) may help to constrain chemical pathways. Thioace...
Preprint
Full-text available
The formation of the interstellar complex organic molecules (iCOMs) is a hot topic in astrochemistry. One of the main paradigms trying to reproduce the observations postulates that iCOMs are formed on the ice mantles covering the interstellar dust grains as a result of radical--radical coupling reactions. We investigate iCOMs formation on the icy s...
Article
Full-text available
Phosphorus is an element of primary importance for all living creatures, being present in many biological activities in the form of phosphate (PO 4 3−). However, there are still open questions about the origin of this specific element and on the transformation that allowed it to be incorporated in biological systems. The most probable source of pre...
Preprint
Full-text available
We report a study of the low-mass Class-0 multiple system VLA 1623AB in the Ophiuchus star-forming region, using H$^{13}$CO$^+$ ($J=3-2$), CS ($J=5-4$), and CCH ($N=3-2$) lines as part of the ALMA Large Program FAUST. The analysis of the velocity fields revealed the rotation motion in the envelope and the velocity gradients in the outflows (about 2...
Preprint
Full-text available
Phosphorus is an element of primary importance for all living creatures, being present in many biological activities in the form of phosphate (PO43-). However, there are still open questions about the origin of this specific element and on the transformation which allowed it to be incorporated in biological systems. The most probable source of preb...
Article
Context. One of the biggest unsolved mysteries of modern astrochemistry is understanding chemical formation pathways in the interstellar medium (ISM) and circumstellar environments. The detections (or even nondetections) of molecules composed of low-abundance atomic species (such as S, P, Si, and Mg) may help to constrain chemical pathways. Thioace...
Preprint
Full-text available
Thioacetamide (CH3CSNH2) is the sulfur analog to acetamide (CH3CONH2) and it is a viable candidate to search for in astronomical environments specifically toward regions where other S-bearing molecules have been found and, if possible, that also contain a detection of CH3CONH2. If detected, it would not only continue to expand the view of molecular...
Article
Full-text available
Context. Interstellar grains are known to be important actors in the formation of interstellar molecules such as H 2 , water, ammonia, and methanol. It has been suggested that the so-called interstellar complex organic molecules (iCOMs) are also formed on the interstellar grain icy surfaces by the combination of radicals via reactions assumed to ha...
Article
Full-text available
The reaction of excited nitrogen atoms N(2D) with CH3CCH (methylacetylene) was investigated under single-collision conditions by the crossed molecular beams (CMB) scattering method with mass spectrometric detection and time-of-flight analysis at the collision energy (Ec) of 31.0 kJ/mol. Synergistic electronic structure calculations of the doublet p...
Article
Positive ions play a fundamental role in interstellar chemistry, especially in cold environments where chemistry is believed to be mainly ion driven. However, in contrast with neutral species, most of the cations present in the astrochemical reaction networks are not fully characterized in the astrochemical literature. To fill this gap, we have car...
Article
Full-text available
Reliable modeling of hydrocarbon oxidation relies critically on knowledge of the branching fractions (BFs) as a function of temperature (T) and pressure (p) for the products of the reaction of the hydrocarbon with atomic oxygen in its ground state, O(³P). During the past decade, we have performed in-depth investigations of the reactions of O(³P) wi...
Article
Context. Recent results in astrochemistry have revealed that some molecules, such as interstellar complex organic species and deuterated species, can serve as valuable tools in the investigation of star-forming regions. Sulphuretted species can also be used to follow the chemical evolution of the early stages of a Sun-like star formation process. A...
Chapter
The interaction between nitrogen atoms in their first electronically excited state ²D and oxygen atoms in their ground state ³P or in the first electronically excited state ¹D with toluene has been characterized by electronic structure calculations. We focused our attention, in particular, on the different sites of attack of nitrogen or oxygen to t...
Chapter
In this work we characterize an initial van der Waals adduct in the potential energy surface of reaction between cyanoacetylene HC\(_{3}\)N and the cyano radical. The geometry of the CN-HC\(_{3}\)N adduct has been optimized through calculations employing ab initio methods. Results show that the energy of the adduct lays below the reactants. Additio...
Preprint
Full-text available
Aims: The goal is to obtain a census of S-bearing species using interferometric images, towards SVS13-A, a Class I object associated with a hot corino rich in interstellar complex organic molecules. Methods: We used data at 3mm and 1.4mm obtained with IRAM-NOEMA in the framework of the Large Program SOLIS. Results: We imaged the spatial distributio...
Preprint
Full-text available
Interstellar grains are known to be important actors in the formation of interstellar molecules such as H$_2$, water, ammonia, and methanol. It has been suggested that the so-called interstellar complex organic molecules (iCOMs) are also formed on the interstellar grain icy surfaces by the combination of radicals via reactions assumed to have an ef...
Article
Context. The chemical pathways linking the small organic molecules commonly observed in molecular clouds to the large, complex, polycyclic species long suspected of being carriers of the ubiquitous unidentified infrared emission bands remain unclear. Aims. To investigate whether the formation of mono- and polycyclic molecules observed in cold cores...
Preprint
Full-text available
Positive ions play a fundamental role in the interstellar chemistry, especially in cold environments where chemistry is believed to be mainly ion-driven. However, in contrast with neutral species, most of the cations present in the astrochemical reaction networks are not fully characterized in the astrochemical literature. To fill up this gap, we h...
Preprint
The present work focuses on the characterization of the reaction between cyanoacetylene and cyano radical by electronic structure calculations of the stationary points along the minimum energy path. One channel, leading to C4N2 (2-Butynedinitrile) + H, was selected due to the importance of its products. Using different ab initio methods, a number o...
Article
The reaction of the nitrogen atom (N) in its first electronically excited state (²D) with cyanoacetylene (HC3N) has been investigated under single-collision conditions by using the crossed molecular beam method with mass spectrometric detection at a collision energy of 31 kJ mol⁻¹. With the support of electronic structure calculations, we found tha...
Article
Pyridine is a heterocyclic aromatic molecule of gross formula C5H5N with a six-membered ring similar to the structure of benzene where one CH group of the ring is replaced by a nitrogen atom. The molecule itself is not abundant in nature, but its derivatives are often part of important biomolecules. For instance, it is one of the basic units in the...
Article
The reactivity of the prototypical aromatic six-membered N-heterocyclic pyridine is of relevance in atmospheric/combustion chemistry, as well as astrochemistry and prebiotic chemistry. Yet, experimental/theoretical studies of elementary reactions involving pyridine are scarce, with little information on primary reaction products and their branching...
Preprint
Full-text available
Molecular hydrogen is the most abundant molecular species in the Universe. While no doubts exist that it is mainly formed on the interstellar dust grain surfaces, many details of this process remain poorly known. In this work, we focus on the fate of the energy released by the H$_2$ formation on the dust icy mantles, how it is partitioned between t...
Preprint
The chemical pathways linking the small organic molecules commonly observed in molecular clouds to the large, complex, polycyclic species long-suspected to be carriers of the ubiquitous unidentified infrared emission bands remain unclear. To investigate whether the formation of mono- and poly-cyclic molecules observed in cold cores could form via t...
Preprint
p>Phosphorous is ubiquitous in planet Earth and plays a fundamental role in all living systems. Finding a reasonable prebiotic source of phosphorous is not trivial, as common sources where it is present nowadays are in the form of phosphate minerals, which are rather insoluble and non-reactive materials, and, accordingly, unavailable for being read...
Article
Full-text available
In cold galactic molecular clouds, dust grains are coated by icy mantles and are prevalently charged negatively, because of the capture of the electrons in the gas. The interaction of the charged grains with gaseous cations is known to neutralize them. In this work, we focus on the chemical consequences of the neutralization process of HCO+, often...
Article
We have observed the very low-mass Class 0 protostar IRAS 15398−3359 at scales ranging from 50 to 1800 au, as part of the Atacama Large Millimeter/Submillimeter Array Large Program FAUST. We uncover a linear feature, visible in H_{2}CO, SO, and C^{18}O line emission, which extends from the source in a direction almost perpendicular to the known act...
Article
We have observed the very low-mass Class 0 protostar IRAS 15398−3359 at scales ranging from 50 to 1800 au, as part of the Atacama Large Millimeter/Submillimeter Array Large Program FAUST. We uncover a linear feature, visible in H 2 CO, SO, and C ¹⁸ O line emission, which extends from the source in a direction almost perpendicular to the known activ...
Preprint
Full-text available
We have observed the very low-mass Class 0 protostar IRAS 15398-3359 at scales ranging from 50 au to 1800 au, as part of the ALMA Large Program FAUST. We uncover a linear feature, visible in H2CO, SO, and C18O line emission, which extends from the source along a direction almost perpendicular to the known active outflow. Molecular line emission fro...