Results 1 to 10 of about 416,377 (165)
Fast ortho-to-para conversion of molecular hydrogen in chemisorption and matrix-isolation systems [PDF]
Frontiers in Chemistry, 2023 Molecular hydrogen has two nuclear-spin modifications called ortho and para. Because of the symmetry restriction with respect to permutation of the two protons, the ortho and para isomers take only odd and even values of the rotational quantum number ...
Hirokazu Ueta +3 more
doaj +2 more sources
Complexes of Formaldehyde and α-Dicarbonyls with Hydroxylamine: FTIR Matrix Isolation and Theoretical Study [PDF]
Molecules, 2021 The interactions of formaldehyde (FA), glyoxal (Gly) and methylglyoxal (MGly) with hydroxylamine (HA) isolated in solid argon and nitrogen were studied using FTIR spectroscopy and ab initio methods.
Barbara Golec +2 more
doaj +2 more sources
Infrared Matrix-Isolation and Theoretical Studies of the Reactions of Bis(benzene)chromium with Ozone [PDF]
MoleculesReactions of bis(benzene)chromium (Bz2Cr) and ozone (O3) were studied using low-temperature argon matrix-isolation infrared spectroscopy with supporting DFT calculations. When Bz2Cr and O3 were co-deposited, they reacted upon matrix deposition to produce
Roger W. Kugel, Bruce S. Ault
doaj +2 more sources
Molecules, 2021 Conformational and polymorphic states in the nitro-derivative of o-hydroxy acetophenone have been studied by experimental and theoretical methods. The potential energy curves for the rotation of the nitro group and isomerization of the hydroxyl group ...
Łukasz Hetmańczyk +7 more
doaj +1 more source
Molecules, 2023 6-Bromopyridine-2-carbaldehyde (abbreviated as BPCA) is used both as a building block in supramolecular chemistry and as a ligand for transition metal catalysts and luminescent complexes.
Anna Luiza B. Brito +3 more
doaj +1 more source
Structure and IR Spectra of 3(5)-Aminopyrazoles and UV-Induced Tautomerization in Argon Matrix
Molecules, 2021 The prototropic tautomerism in 3(5)-aminopyrazoles was investigated by matrix isolation infrared (IR) spectroscopy, supported by DFT(B3LYP)/6-311++G(d,p) calculations.
Alina Secrieru +3 more
doaj +1 more source
Molecules, 2022 Monomers of meta-fluorophenol (mFP) were trapped from the gas phase into cryogenic argon and nitrogen matrices. The estimated relative energies of the two conformers are very close, and in the gas phase they have nearly equal populations.
A. J. Lopes Jesus +3 more
doaj +1 more source
Molecules, 2021 1,4- and 1,5-disubstituted tetrazoles possess enriched structures and versatile chemistry, representing a challenge for chemists. In the present work, we unravel the fragmentation patterns of a chemically diverse range of 5-allyloxy-1-aryl-tetrazoles and
Alina Secrieru +2 more
doaj +1 more source
Photo-Induced Reactions between Glyoxal and Hydroxylamine in Cryogenic Matrices
Molecules, 2022 In this paper, the photochemistry of glyoxal–hydroxylamine (Gly–HA) complexes is studied using FTIR matrix isolation spectroscopy and ab initio calculations.
Barbara Golec +2 more
doaj +1 more source
Optical control of BaF molecules trapped in neon ice
New Journal of Physics, 2023 We have trapped BaF molecules in neon ice and used laser-induced fluorescence spectroscopy to map out their optical transitions. Our measurements show that the neon lattice does not significantly perturb certain optical transitions in trapped BaF ...
S J Li +3 more
doaj +1 more source