Gas-phase equilibrium molecular structures and ab initio thermochemistry of anthracene and rubrene
Semi-experimental gas-phase structures of anthracene and rubrene (5, 6, 11, 12-
tetraphenyltetracene) were determined by means of gas electron diffraction (GED). The use …
tetraphenyltetracene) were determined by means of gas electron diffraction (GED). The use …
Tautomeric properties and gas-phase structure of acetylacetone
NV Belova, H Oberhammer, NH Trang… - The Journal of organic …, 2014 - ACS Publications
The tautomeric and structural properties of acetylacetone, CH3C (O) CH2C (O) CH3, have
been studied by gas-phase electron diffraction (GED) and quantum chemical calculations …
been studied by gas-phase electron diffraction (GED) and quantum chemical calculations …
Molecular structure of nickel octamethylporphyrin—Rare experimental evidence of a ruffling effect in gas phase
The structure of a free nickel (II) octamethylporphyrin (NiOMP) molecule was determined for
the first time through a combined gas-phase electron diffraction (GED) and mass …
the first time through a combined gas-phase electron diffraction (GED) and mass …
Is There an Adduct of Pyridine N-Oxide and Boron Trifluoride in the Gaseous State? Gas Electron Diffraction vs Mass Spectrometry
IS Lebedev, NV Belova, NI Giricheva… - Inorganic …, 2024 - ACS Publications
A study of saturated vapor over the pyridine N-oxide-boron trifluoride (PyO-BF3) adduct was
carried out at T= 448 (5) K by a synchronous gas electron diffraction/mass spectrometry …
carried out at T= 448 (5) K by a synchronous gas electron diffraction/mass spectrometry …
Molecular structure and conformations of benzenesulfonamide: gas electron diffraction and quantum chemical calculations
V Petrov, V Petrova, GV Girichev… - The Journal of …, 2006 - ACS Publications
The molecular structure and conformational properties of benzenesulfonamide,
C6H5SO2NH2, were studied by gas electron diffraction (GED) and quantum chemical …
C6H5SO2NH2, were studied by gas electron diffraction (GED) and quantum chemical …
Molecular Structure, Vibrational Spectrum and Conformational Properties of 4-(4-Tritylphenoxy) phthalonitrile-Precursor for Synthesis of Phthalocyanines with Bulky …
NV Tverdova, NI Giricheva, VE Maizlish… - International Journal of …, 2022 - mdpi.com
By DFT method with B3LYP, PBE, CAM-B3LYP, and B97D functionals, it was found that the
molecule 4-(4-tritylphenoxy) phthalonitrile (TPPN) has four conformers. The geometric …
molecule 4-(4-tritylphenoxy) phthalonitrile (TPPN) has four conformers. The geometric …
Tautomeric and Conformational Properties of Methyl Acetoacetate, CH3OC(O)−CH2−C(O)CH3: Electron Diffraction and Quantum Chemical Study
NV Belova, H Oberhammer… - The Journal of Physical …, 2004 - ACS Publications
The tautomeric properties of methyl acetoacetate, CH3OC (O)− CH2− C (O) CH3, have been
investigated in the gas phase by gas electron diffraction (GED), IR (matrix) spectroscopy …
investigated in the gas phase by gas electron diffraction (GED), IR (matrix) spectroscopy …
Accurate single crystal and gas-phase molecular structures of acenaphthene: A starting point in the search for the longest C–C bond
YV Vishnevskiy, AA Otlyotov, JH Lamm… - Physical Chemistry …, 2023 - pubs.rsc.org
The molecular structure of acenaphthene has been determined experimentally in the gas
phase using gas electron diffraction intensities and literature-available rotational constants …
phase using gas electron diffraction intensities and literature-available rotational constants …
Conformational properties of 1-fluoro-1-methyl-silacyclohexane and 1-methyl-1-trifluoromethyl-1-silacyclohexane: Gas electron diffraction, low-temperature NMR …
Two new 1, 1-disubstitued silacyclohexanes, C5H10SiFCH3 (1) and C5H10SiCF3CH3 (2)
were synthesized. The molecular structure of their axial and equatorial conformers as well …
were synthesized. The molecular structure of their axial and equatorial conformers as well …
Molecular structure and bonding in octamethylporphyrin tin (ii), SnN 4 C 28 H 28
GV Girichev, NI Giricheva, OI Koifman… - Dalton …, 2012 - pubs.rsc.org
Gas-phase electron diffraction was applied for the molecular structure determination of
octamethylporphyrin tin (II), SnN4C28H28, at the temperature of 706 (10) K. The molecule …
octamethylporphyrin tin (II), SnN4C28H28, at the temperature of 706 (10) K. The molecule …