Dimensionality of the Proton Transfer in the Intramolecular Hydrogen Bond of Formimidol.

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F02%3A54020184" target="_blank" >RIV/61388955:_____/02:54020184 - isvavai.cz</a>
Result on the web
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DOI - Digital Object Identifier
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Result language
angličtina
Original language name
Dimensionality of the Proton Transfer in the Intramolecular Hydrogen Bond of Formimidol.
Original language description
The dimensionality of proton transfer (PT) within the O-H..O intramolecular hydrogen bond of formimidol (O=CH-N=CH-O-H) is examined theoretically. The PT motion is assumed to depend explicitly only on the O-H..O in-plane vibrational coordinates. The remaining in-plane motions are assumed to be adiabatically responding to the PT motion. The corresponding vibrational (PT) energies exhibit sizable dependence on the adiabatic relaxation of the O-C-N and C-N-C angles advocating thus for their explicit consideration in a more quantitative description of the PT motion.
Czech name
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Czech description
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Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CF - Physical chemistry and theoretical chemistry
OECD FORD branch
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Project
<a href="/en/project/IAA1010902" target="_blank" >IAA1010902: Dynamics of molecular systems in curvilinear coordinates</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>Z - Vyzkumny zamer (s odkazem do CEZ)

Publication year
2002
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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