A wave packet simulation of the ultraviolet photolysis dynamics of Ar-HI(upsilon = 0) is reported. Cluster photodissociation is started from two different initial states, namely, the ground van der Waals (vdW) and the first excited vdW bending state, associated with the Ar-I-H and Ar-H-I isomeric forms of the system, respectively. Formation of Ar-I radical products is investigated over the energy range of the cluster absorption spectrum. It is found that the yield of bound Ar-I radical complexes is typically 90%-100% and 70%-80% for the initial states associated with the Ar-I-H and Ar-H-I isomers, respectively. This result is in agreement with the experimentally observed time-of-flight spectrum of the hydrogen fragment produced after Ar-HI photodissociation. The high Ar-I yield is explained mainly by the small amount of energy available for the radical that is converted into internal energy in the photofragmentation process, which enhances the Ar-I survival probability. Quantum interference effects manifest themselves in structures in the angular distribution of the hydrogen fragment, and in pronounced rainbow patterns in the rotational distributions of the Ar-I radical.
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http://dx.doi.org/10.1063/1.1767092 | DOI Listing |
ACS Catal
May 2024
Merck & Co., Inc., Discovery Chemistry, HTE and Lead Discovery Capabilities, Rahway, New Jersey, 07065, USA.
A family of 4,4'-Bu-2,2'-bipyridine (bpy) ligands with substituents in either the 6-position, 4,4'-Bu-6-Me-bpy (bpy), or 6 and 6'-positions, 4,4'-Bu-6,6'-R-bpy (bpy; R = Me, Pr, Bu, Ph, or Mes), was synthesized. These ligands were used to prepare Ni complexes in the 0, I, and II oxidation states. We observed that the substituents in the 6 and 6'-positions of the bpy ligand impact the properties of the Ni complexes.
View Article and Find Full Text PDFBiointerphases
November 2023
Department of Microbiology, All India Institute of Medical Sciences, New Delhi 110029, India.
Cold atmospheric pressure plasma jet (CAPJ) has piqued the interest of researchers for various antimicrobial applications such as disinfection, wound decontamination, etc. In the current context, a deeper understanding of the correlation between CAPJ's intrinsic parameters, discharge characteristics, species composition, and antimicrobial activity is required for any successful application. This research evaluated the effect of intrinsic operational parameters such as voltage, frequency, gas flow rate, and operating gas on the reactive species composition of an in-house-developed CAPJ discharge along with the antimicrobial activity.
View Article and Find Full Text PDFOrg Lett
April 2022
State Key Laboratory of Applied Organic Chemistry, Lanzhou University, Lanzhou 730000, China.
An innovative 1,5-HAT cascade strategy has been advanced for the nickel-catalyzed distal arylation via cross-electrophile coupling. Through specific migration, the remote C(sp)-H bond is regioselectively activated, and Ar-I as the available electrophile is used for the construction of the C(sp)-C(sp) bond. This method also has broad applicability for benzylic and aliphatic -fluorocarboxamides with yields up to 80%.
View Article and Find Full Text PDFJ Am Chem Soc
January 2021
State Key Laboratory of Applied Organic Chemistry, College of Chemistry and Chemical Engineering, Lanzhou University, 222 South Tianshui Road, Lanzhou, 730000, China.
Catalytic transformation of alcohols via metal-catalyzed cross-coupling reactions is very important, but it typically relies on a multistep procedure. We here report a dynamic kinetic cross-coupling approach for the direct functionalization of alcohols. The feasibility of this strategy is demonstrated by a nickel-catalyzed cross-electrophile arylation reaction of benzyl alcohols with (hetero)aryl electrophiles.
View Article and Find Full Text PDFChemistry
December 2019
Departamento de Química Inorgánica, Facultad de Química, Universidad de Murcia, Campus de Espinardo, 30100, Murcia, Spain.
The study of perfluoroalkyl metal complexes is key to understand and improve metal-promoted perfluoroalkylation reactions. Herein, we report the synthesis of the first gold complexes with primary or secondary perfluoroalkyl ligands by photoinitiated reactions between Au organometallic complexes and iodoperfluoroalkanes. Complexes of the types LAuR (L=PPh or N,N-bis(2,6-diisopropylphenyl)imidazol-2-ylidene; R =n-C F , n-C F , i-C F , c-C F ) and [Au(R )(Ar)I(PPh )] (Ar=2,4,6-trimethylphenyl) have been isolated and characterized.
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