نتایج جستجو برای: hindered rotation

تعداد نتایج: 83881  

2015
Benno Meier Salvatore Mamone Maria Concistrè Javier Alonso-Valdesueiro Andrea Krachmalnicoff Richard J Whitby Malcolm H Levitt

Water exists in two spin isomers, ortho and para, that have different nuclear spin states. In bulk water, rapid proton exchange and hindered molecular rotation obscure the direct observation of two spin isomers. The supramolecular endofullerene H2O@C60 provides freely rotating, isolated water molecules even at cryogenic temperatures. Here we show that the bulk dielectric constant of this substa...

Journal: :Journal of computational chemistry 2015
Pin-Kuang Lai Shiang-Tai Lin

The vibrational density of states (DoS), calculated from the Fourier transform of the velocity autocorrelation function, provides profound information regarding the structure and dynamic behavior of a system. However, it is often difficult to identify the exact vibrational mode associated with a specific frequency if the DoS is determined based on velocities in Cartesian coordinates. Here, the ...

Journal: :Molecules 2017
Jaime A Valderrama Joel Garrido Virginia Delgado Julio Benites Cristina Theoduloz

The reaction of 2-acetyl- and 2-benzoyl-1,4-naphthoquinone with (Z)-methyl 3-(hydroxymethyl)aminocrotonate proceeds through a formal [3+3] process to yield the corresponding 1,2-dihydrobenzisoquinolinequinones in 63% and 72% yield, respectively. The reactions of 2-acyl-1,4-naphthoquinone with enaminones, derived from diverse l- and d-amino acid methyl esters, produced the corresponding naphthoq...

Journal: :Dalton transactions 2012
Paul Marshall Robert L Jenkins William Clegg Ross W Harrington Samantha K Callear Simon J Coles Ian A Fallis Athanasia Dervisi

The butyl and isopropyl derivatives (4I, 5Br) of chiral pool derived bis-imidazolium dehydrohexitol salts have been prepared. The ditopic N-heterocyclic carbenes 4 and 5 form dinuclear Ag(I) and Pt(II) complexes. All compounds were fully characterised by multinuclear NMR spectroscopy. The bis-imidazolium salt 4I and platinum complexes cis-[Pt(2)(μ-2)(dmso)(2)Cl(4)] and cis-[Pt(2)(μ-4)(dmso)(2)C...

Journal: :Canadian Journal of Chemistry 1959

Journal: :Journal of Molecular Structure 2021

The rotational spectrum of 2-fluoro-4-chlorotoluene was studied in the frequency range 4 to 24 GHz by Fourier transform microwave spectroscopy. Fine torsional splittings into doublets were found for all transitions due methyl internal rotation hindered with a barrier about 230 cm−1. In combination quadrupole coupling hyperfine on same order magnitude originating from chlorine nucleus, rich spec...

Journal: :Physical review applied 2022

Collision phenomena are ubiquitous and of importance in determining the microscopic structures intermolecular interactions atoms molecules. The existing approaches mostly based on atomic or molecular scatterings, which hindered by inconvenience using ultra-high vacuum low temperature systems. Here we demonstrate a new spin-noise spectroscopic approach measuring optical polarization rotation noi...

2001
Jacob Schaefer Robert Yaris

Calculations of the conformational preferences of isolated single chains of poly(2,6-dimethylphenylene oxide) (PPO) and bisphenol-A polycarbonate (PC) predict that the rings of both chains are nearly free rotors a t room temperature. However, experimental dipolar rotational spin-echo 13C NMR shows that in the glass, the rings of PPO execute only small-amplitude motions while those of PC undergo...

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