Excitation of NH Stretching Modes in Aromatic Molecules: o-Toluidine and α-Methylbenzylamine

J Ree, KC Ko, YH Kim, HK Shin - The Journal of Physical …, 2023 - ACS Publications
Selectively excited o-toluidine and α-methylbenzylamine have been studied with quasi-
classical trajectory procedures to determine the extent and timescales of intramolecular …

Can graphene improve the thermal conductivity of copper nanofluids?

GJ Olguín-Orellana, GJ Soldano… - Physical Chemistry …, 2023 - pubs.rsc.org
Copper (Cu) nanofluids (NFs) have attracted attention due to their high thermal conductivity,
which has conferred a wide variety of applications. However, their high reactivity favors …

Silver doped with acidic/basic polymers: novel, reactive metallic composites

H Behar‐Levy, D Avnir - Advanced Functional Materials, 2005 - Wiley Online Library
We report the preparation and properties of metallopolymeric composites with acidic and
basic properties. The composites are prepared via the recently developed method of …

A simulation of naphthalene matrix isolation: comparison with experiments

C Crépin, P De Pujo, B Bouvier, V Brenner, P Millié - Chemical Physics, 2001 - Elsevier
The trapping of a naphthalene molecule in an argon matrix is simulated using an original
method based on classical molecular dynamics calculations. A numerical simulation of the …

Molecular dynamics simulations of matrix deposition. I. Site structure analysis for porphyrin in argon and xenon

A Kyrychenko, J Waluk - The Journal of chemical physics, 2003 - pubs.aip.org
Classical molecular dynamics methodology was applied for the simulation of rare gas matrix
deposition and for the structural analysis of the environment around porphyrin embedded in …

Photophysics of phenylpyrrole derivatives and their acetonitrile clusters in the gas phase and in argon matrixes: Simulations of structure and reactivity

D Schweke, Y Haas, B Dick - The Journal of Physical Chemistry A, 2005 - ACS Publications
Recent experiments on the dual fluorescence of phenylpyrrole (PP) and pyrrolobenzonitrile
(PBN) in supersonic jets and in cryogenic matrixes are analyzed. The structures of the 1: 1 …

Molecular dynamics simulations of matrix deposition. III. Site structure analysis for porphycene in argon and xenon

A Kyrychenko, J Waluk - The Journal of chemical physics, 2005 - pubs.aip.org
Porphycene (1) and porphyrin (2), two constitutional isomers, reveal completely different
electronic spectral patterns in argon and xenon matrices. For the former the spectra …

Electronic relaxation of aniline in argon matrix: A site selective laser spectroscopy

C Gée, A Cuisset, L Divay, C Crépin - The Journal of chemical physics, 2002 - pubs.aip.org
Absorption (S 1← S 0), fluorescence (S 1→ S 0) and phosphorescence (T 1→ S 0) spectra
of aniline isolated in argon matrices are presented and analyzed. Upon selective laser …

The Fluorescence of N-Phenylpyrrole in an Argon/Acetonitrile Matrix

D Schweke, Y Haas - The Journal of Physical Chemistry A, 2003 - ACS Publications
N-Phenylpyrrole (PP) was studied in an argon matrix at 14− 30 K. The absorption and
fluorescence excitation spectra are structureless, while the emission spectrum shows distinct …

Charge-Transfer-Type Fluorescence of 4-(1H-Pyrrol-1-yl)benzonitrile (PBN) and N-Phenylpyrrole (PP) in Cryogenic Matrixes:  Evidence for Direct Excitation of the …

D Schweke, H Baumgarten, Y Haas… - The Journal of …, 2005 - ACS Publications
The fluorescence spectrum of PBN in a neat argon matrix is excitation-wavelength-
dependent: at short excitation wavelengths, it consists of dual emission assigned to a charge …