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An investigation of CCl3COCl was conducted with the purpose of using the compound as an alternative Cl atom precursor in laboratory settings. CCl3COCl can be used with or without O2 as a source of Cl atoms and photolysis studies in air and N2 diluent displayed COCl2 and CO as being the major photolysis products. Relative rate studies were performed to determine the Cl atom rate coefficients for reaction with CH3Cl and C2H2 and the results were in agreement with literature values. Cl atom rate coefficients for reaction with n-CH2[double bond, length as m-dash]CH(CH2)3CN and n-CH2[double bond, length as m-dash]CH(CH2)4CN were determined as (2.95 ± 0.58) × 10-10 and (3.73 ± 0.60) × 10-10 cm3 molecule-1 s-1, respectively. CCl3COCl requires UV-C irradiation, so not all molecules are feasible for use in e.g. relative rate studies. Furthermore, it is recommended to perform experiments with O2 present, as this minimizes IR feature disturbance from product formation.
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http://dx.doi.org/10.1039/d0em00105h | DOI Listing |
Phys Rev Lett
August 2025
City University of Hong Kong, Department of Physics, Kowloon, Hong Kong SAR 999077, China.
The ability to slow down light at the single-photon level has applications in quantum information processing and other quantum technologies. We demonstrate two methods, both using just a single artificial atom, enabling dynamic control over microwave light velocities in waveguide quantum electrodynamics (QED). Our methods are based on two distinct mechanisms harnessing the balance between radiative decay and nonradiative decoherence rates of a superconducting artificial atom in front of a mirror.
View Article and Find Full Text PDFJ Chem Phys
September 2025
Center for Advanced Structural Materials, State Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004, China.
Increasing evidences show the significance of low melting entropy in glass formation of substances. Our previous studies have uncovered the strong dependence between melting entropy in the eutectic mixtures and mixing enthalpy, which has been serving as an important reference for glass formation, showing that negative mixing enthalpy largely reduces the melting entropy. In this paper, we focused on the question as to how melting entropy is associated with another classical glass formation criterion of molecule/atom size difference of components.
View Article and Find Full Text PDFJ Phys Chem A
September 2025
MOE Key Laboratory for Non-Equilibrium Synthesis and Modulation of Condensed Matter, School of Physics, Xi'an Jiaotong University, Xi'an 710049, Shaanxi, P. R. China.
Understanding the active sites of copper (Cu)-based catalysts toward CO is a prerequisite for improving their rational design. The reactivity of copper oxide cluster anions CuO ( = 3-9) and bare copper cluster anions Cu toward CO has been investigated at room temperature by employing mass spectrometry combined with density functional theory (DFT) calculations. Only adsorption products are observed for the reaction of CuO with CO.
View Article and Find Full Text PDFJ Chem Phys
September 2025
Department of Chemistry, Iowa State University, Ames, Iowa 50011, USA.
The formation of carbinolamine represents the crucial initial step in the aldol reaction, specifically involving the interaction between p-nitrobenzaldehyde and acetone, facilitated by amine-catalyzed mesoporous silica nanoparticles (amine-MSN). In this process, a nitrogen atom from propylamine, which acts as the catalytic moiety, engages in the formation of a covalent bond with a carbon atom from acetone, leading to the generation of a carbinolamine intermediate. This reaction is significantly influenced by the presence of silanol groups located on the surface of the amine-MSN, which contribute to the catalytic activity.
View Article and Find Full Text PDFJ Chem Theory Comput
September 2025
Beijing National Laboratory for Molecular Sciences, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190, China.
The proton (or hydrogen atom) transfer via tunneling plays a key role in chemical and biological processes. However, our understanding of multiple motion or proton concerted tunneling is very limited. Herein, we find that the weak dispersion interaction in the formic acid dimer (FAD)-fluorobenzene (PhF) system does not change the double proton transfer (DPT) barrier in FAD, but induces the FAD swing coupled with DPT.
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