Molecular clusters of π-systems: theoretical studies of structures, spectra, and origin of interaction energies
Much interest has been evinced on the properties of weakly bound van der Waals
complexes of π-systems because of their utility in diverse fields (Figure 1). 1-14 Theoretical …
complexes of π-systems because of their utility in diverse fields (Figure 1). 1-14 Theoretical …
Quantum chemical investigations on molecular clusters
A cluster is an aggregate of bound atoms or molecules, intermediate in size between a
molecule and a bulk solid. Clusters of a variety of molecules are receiving increasing …
molecule and a bulk solid. Clusters of a variety of molecules are receiving increasing …
Direct detection of products from the pyrolysis of 2-phenethyl phenyl ether
MW Jarvis, JW Daily, HH Carstensen… - The Journal of …, 2011 - ACS Publications
The pyrolysis of 2-phenethyl phenyl ether (PPE, C6H5C2H4OC6H5) in a hyperthermal
nozzle (300− 1350° C) was studied to determine the importance of concerted and homolytic …
nozzle (300− 1350° C) was studied to determine the importance of concerted and homolytic …
Olefinic vs aromatic π− h interaction: a theoretical investigation of the nature of interaction of first-row hydrides with ethene and benzene
P Tarakeshwar, HS Choi, KS Kim - Journal of the American …, 2001 - ACS Publications
The nature and origin of the π− H interaction in both the ethene (olefinic) and benzene
(aromatic) complexes of the first-row hydrides (BH3, CH4, NH3, H2O, and HF) has been …
(aromatic) complexes of the first-row hydrides (BH3, CH4, NH3, H2O, and HF) has been …
Physicochemical properties of hydrated complexes in the Earth's atmosphere
V Vaida, JE Headrick - The Journal of Physical Chemistry A, 2000 - ACS Publications
Theoretical and experimental studies have recently attempted to investigate the role of
molecular complexes in the Earth's atmosphere. The extent to which these weakly bound …
molecular complexes in the Earth's atmosphere. The extent to which these weakly bound …
Radiation-induced transformations of matrix-isolated ethanol molecules at cryogenic temperatures: an FTIR study
PV Zasimov, EV Sanochkina, DA Tyurin… - Physical Chemistry …, 2023 - pubs.rsc.org
Ethanol (C2H5OH) is one of the most common alcohol molecules observed in various space
media (molecular clouds, star formation regions, and, highly likely, interstellar ices), where it …
media (molecular clouds, star formation regions, and, highly likely, interstellar ices), where it …
A matrix isolation study of the benzene-water interaction
A Engdahl, B Nelander - The Journal of Physical Chemistry, 1985 - ACS Publications
A matrix isolation study of the benzene-water interaction Page 1 2860 J. Phys. Chem. 1985,
89, 2860-2864 cannot oscillate. The nonlinear term—kAŧxz—makes this de- coupling …
89, 2860-2864 cannot oscillate. The nonlinear term—kAŧxz—makes this de- coupling …
Infrared spectra and optical constants of astronomical ices: I. Amorphous and crystalline acetylene
RL Hudson, RF Ferrante, MH Moore - Icarus, 2014 - Elsevier
Here we report recent measurements on acetylene (C 2 H 2) ices at temperatures applicable
to the outer Solar System and the interstellar medium. New near-and mid-infrared data …
to the outer Solar System and the interstellar medium. New near-and mid-infrared data …
Wide amplitude motion in the water–carbon dioxide and water–acetylene complexes
PA Block, MD Marshall, LG Pedersen… - The Journal of chemical …, 1992 - pubs.aip.org
The optothermal detection method has been used to obtain near‐infrared spectra of the H2O–
CO2 and H2O–HCCH van der Waals molecules in the 3 μm region. For H2O–CO2, the …
CO2 and H2O–HCCH van der Waals molecules in the 3 μm region. For H2O–CO2, the …
C− H⊙⊙⊙ X Hydrogen Bonds of Acetylene, Ethylene, and Ethane with First-and Second-Row Hydrides
M Hartmann, SD Wetmore… - The Journal of Physical …, 2001 - ACS Publications
The structures and binding energies of a series of C− H⊙⊙⊙ X hydrogen-bonded
complexes involving acetylene, ethylene, and ethane as proton donors and the first-and …
complexes involving acetylene, ethylene, and ethane as proton donors and the first-and …