structural isotope effect in hydrogen-bonded 2-aminoethanol

Penn, Robert; Olsen, Robert J.

doi:10.1016/0022-2852(76)90280-0

Cited by 63 publications

(26 citation statements)

References 8 publications

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“…To model the Si(100)2 × 1 surface, we employed the doubledimer cluster (Si 15 H 16 10 43 44 created by using a new procedure discussed elsewhere. 20 45 In accord with the earlier experimental and theoretical studies, [46][47][48][49] our DFT calculations have reaffirmed that the gauche structure is the most stable geometry for ethanolamine in the gas phase. The possibility of the conversion between the gas-phase structures induced by the surface, which may lead to a distribution of several products on the Si(100)2 × 1 surface, has prompted us to consider both gauche (eclipsed) and trans (staggered) conformers in our calculations.…”

Section: Articlesupporting

confidence: 78%

Competitive Bonding of Amino and Hydroxyl Groups in Ethanolamine on Si(100)2×1: Temperature-Dependent X-Ray Photoemission and Thermal Desorption Studies of Nanochemistry of a Double-Chelating Agent

radi¹,

Leung²

2011

Mat Express

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Section: Articlesupporting

confidence: 78%

Competitive Bonding of Amino and Hydroxyl Groups in Ethanolamine on Si(100)2×1: Temperature-Dependent X-Ray Photoemission and Thermal Desorption Studies of Nanochemistry of a Double-Chelating Agent

radi¹,

Leung²

2011

Mat Express

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“…In particular, the coordinates of the water hydrogen involved in the H-bond can be altered by the Ubbelohde effect, that is the shrinkage of the OÁ Á ÁO distance upon deuteration. 40,41,46,47 although rough, these values are of the location of this hydrogen. Some small coordinates have imaginary values, an effect often encountered in this kind of molecules, and due to the angular momenta produced by the large amplitude motions.…”

Section: Structural Information On Tba-wmentioning

confidence: 95%

Internal dynamics in complexes of water with organic molecules. Details of the internal motions in tert-butylalcohol–water

Evangelisti

Camináti

2010

Phys. Chem. Chem. Phys.

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The peculiar propensity of water to have a high internal dynamic activity in its molecular complexes with organic molecules is described in this paper. Often, the corresponding large amplitude motions are reflected in the tunnelling splittings of the rotational transitions which, in turn, provide information for the determination of the potential energy surfaces and of the noncovalent interactions of water with a variety of atoms and/or functional groups. A classification of this kind of molecular complexes is given, also in relation to the tunnelling features of the rotational spectra. As a specific example, the rotational spectrum of tert-butylalcohol-water, investigated by Fourier transform microwave spectroscopy, is reported. Details are given of the large amplitude motions which take place in the adduct, the internal rotation of the hydroxyl group and the oscillations of the water molecule, by interpreting the experimental data with a flexible model.

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“…18 In gas phase, however, such an increase is observed only in carboxylic dimers, while for complexes with the two subunits held together by a single OHÁ Á ÁO HB, a shrinkage of the OÁ Á ÁO distance is observed. [19][20][21] Here we report the pulsed jet FTMW spectrum of a hetero dimer of carboxylic acids, acrylic acid (CH 2 QCH-COOH)formic acid, from now on AAÁ Á ÁFA. This is the first case in which the rotational spectra of two different conformers are observed for a carboxylic acid dimer.…”

Section: Introductionmentioning

confidence: 94%

Conformational equilibria in carboxylic acid bimolecules: a rotational study of acrylic acid–formic acid

Feng

Gou

Evangelisti

et al. 2013

Phys. Chem. Chem. Phys.

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The bimolecule acrylic acid-formic acid has been investigated by pulsed jet Fourier transform microwave spectroscopy. The complex adopts two different conformational shapes, according to the cis or trans forms of the acrylic acid moiety. The measurements have been extended to four deuterated and to four (13)C (natural abundance) species, and their combinations, for each conformer. These data allowed us to determine the carbon skeleton structures and to size quantitatively the structural effect caused by the OH → OD isotopic substitutions (the Ubbelohde effect).

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structural isotope effect in hydrogen-bonded 2-aminoethanol

Cited by 63 publications

References 8 publications

Competitive Bonding of Amino and Hydroxyl Groups in Ethanolamine on Si(100)2×1: Temperature-Dependent X-Ray Photoemission and Thermal Desorption Studies of Nanochemistry of a Double-Chelating Agent

Competitive Bonding of Amino and Hydroxyl Groups in Ethanolamine on Si(100)2×1: Temperature-Dependent X-Ray Photoemission and Thermal Desorption Studies of Nanochemistry of a Double-Chelating Agent

Internal dynamics in complexes of water with organic molecules. Details of the internal motions in tert-butylalcohol–water

Conformational equilibria in carboxylic acid bimolecules: a rotational study of acrylic acid–formic acid

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