In this Perspective we highlight developments in the field of chemical reaction dynamics. Focus is on advances recently made investigation dynamics elementary multichannel radical-molecule and radical-radical reactions, as they have become possible using an improved crossed molecular beam scattering apparatus with universal electron-ionization mass spectrometric detection time-of-flight analysis. These improvements consist implementation (a) soft ionization by tunable low-energy electrons...

In our laboratory a recent series of experiments by means the crossed molecular beam (CMB) scattering technique with mass-spectrometric detection and time-of-flight analysis has been instrumental in fostering progress understanding dynamics both simple triatomic insertion reactions complex polyatomic addition–elimination exhibiting competing channels. first part this review we survey advances made comprehension involving excited carbon, nitrogen oxygen atoms – C(1D), N(2D), O(1D) H2(D2), as...

The quantum (QM) scattering theory has been difficult to apply the family of insertion reactions and approximate quasiclassical trajectory (QCT) method or statistical calculations were mostly applied. In this Letter, we compare experimental differential cross sections for title reaction with results QM QCT on an ab initio potential energy surface. reproduce well crossed beam experiment, while a small, but significant, difference in ones points effects, possibly occurrence tunneling through...

The crossed molecular beam scattering technique with soft electron ionization (EI) is used to disentangle the complex dynamics of polyatomic O(3P) + C2H4 reaction, which great relevance in combustion and atmospheric chemistry. Exploiting newly developed capability attaining universal product detection by using EI, at a collision energy 54.0 kJ mol(-1), five different primary products have been identified, correspond exoergic competing channels leading CH2CHO(vinoxy) H, CH3CO(acetyl)...

Abstract Castanea sativa plays a significant role in the Italian forestry sector, covering 7.5 % of Italy's land. This biomass resource includes volumes wood processing residues: recent years, its exploitation has shifted from fuel production to high‐value applications, focusing on lignocellulosic fractionation obtain biopolymers. Lignin, most abundant aromatic biopolymer, gained attention due potential for various industrial uses. Amid chemical treatments, hydrothermal treatment offers...

Soft ionization by low-energy, tunable electrons is implemented for the first time in crossed molecular beam reactive scattering experiments with mass-spectrometric detection. The power of method, which permits suppression dissociative interfering species, exemplified study O((3)P)+C(2)H(2) multichannel reaction.

In this paper we report a combined experimental and theoretical study on the dynamics of insertion reaction C(D1)+D2 at 15.5kJmol−1 collision energy. Product angular velocity distributions have been obtained in crossed beam experiments quasiclassical trajectory (QCT) rigorous statistical calculations performed recent accurate ab initio potential energy surface Bussery-Honvault, Honvault, Launay experiment. The molecular-beam results simulated using calculations. Good agreement between...

A detailed investigation of the dynamics reactions ground- and excited-state carbon atoms, C(3P) C(1D), with acetylene is reported over a wide collision energy range (3.6-49.1 kJ mol-1) using crossed molecular beam (CMB) scattering technique electron ionization mass spectrometric detection time-of-flight (TOF) analysis. We have exploited capability (a) generating continuous intense supersonic beams C(3P, 1D), (b) crossing two reactant at different intersection angles (45, 90, 135 degrees )...

To assess the relative reactivity of spin-orbit excited state atomic Cl with molecular hydrogen, we have measured differential cross sections using an beam a known concentration ground and states. These are compared first determination from quantum mechanical scattering calculations on set coupled ab initio potential energy surfaces. The comparison suggests that these surfaces may underestimate degree rotational excitation HCl products plays minor role in reaction.

The reaction between ground state oxygen atoms, O((3)P), and the acetylene molecule, C2H2, has been investigated in crossed molecular beam experiments with mass-spectrometric detection time-of-flight analysis at three different collision energies, Ec = 34.4, 41.1 54.6 kJ mol(-1). From product angular velocity distribution measurements of HCCO CH2 products laboratory frame, translational energy distributions center-of-mass frame were determined. Measurements on made possible by employing for...

The dynamics of the C + C2H2 reaction has been investigated using two crossed molecular beam apparatus different concepts. Differential cross sections have obtained for C(3PJ) C2H2(X1sigmag+) --> l/c-C3H H(2S1/2) in experiments conducted with pulsed supersonic beams and variable crossing angle configuration at relative translational energies ET = 0.80 3.5 kJ mol(-1). atoms were detected by time-of-flight mass spectrometry sequential excitation to 2PJ(o) state a laser tuned Lyman-alpha...

The dynamics of the radical–radical reaction O(3P) + C3H5 has been investigated by means crossed molecular beam technique with mass spectrometric detection at a collision energy 73.0 kJ mol−1; mechanism H-displacement channel elucidated, while experimental evidence occurrence one or more C–C bond-breaking channels this obtained.

To investigate the relative reactivity of two spin–orbit states atomic Cl with molecular hydrogen, we have measured laboratory-frame differential cross sections (DCSs) using an beam a known concentration ground (2P3/2) and excited (2P1/2) states. The experimental results are compared complete determination appropriate centre-of-mass DCSs from quantum mechanical scattering calculations on Capecchi–Werner coupled ab initio potential energy surfaces (PESs). multi-electronic-state prediction...

In this work, chemical–physical protocols aimed at the implementation of eco-friendly and biomass-sustainable recovery processes useful compounds from forestry and/or wood industry wastes were evaluated. Four species interest in industrial environmental fields (Quercus cerris, Quercus ilex, Robinia pseudoacacia Central Italy, petraea France) submitted to neutral extraction analyzed by gaschromatography, with mass spectrometry identification low-molecular-weight phenols. Moreover, heartwood...

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