Synthesis, X-ray diffraction studies, and hydrogen bonding analysis of a new phosphoramide counterion in solid state

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68378271%3A_____%2F19%3A00519608" target="_blank" >RIV/68378271:_____/19:00519608 - isvavai.cz</a>
Result on the web
<a href="https://doi.org/10.1134/s0036023619050061" target="_blank" >https://doi.org/10.1134/s0036023619050061</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1134/S0036023619050061" target="_blank" >10.1134/S0036023619050061</a>

Result language
angličtina
Original language name
Synthesis, X-ray diffraction studies, and hydrogen bonding analysis of a new phosphoramide counterion in solid state
Original language description
In the present study, we report the structure of one new phosphoramidate counter ion. The single crystal X-ray diffraction analysis revealed that C18H18N3O4P1, consists of a discrete [C18H18N2OP]+ cation and anion. The compound crystallizes in triclinic system, space group P-1. The interaction between cation and anion has occurred through hydrogen bonding. The strength of different hydrogen bonds between two counter ions was studied by DFT calculations in the gas phase. We optimized the hydrogen atoms and kept all other atoms invariant in the optimization process.n
Czech name
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Czech description
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Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10302 - Condensed matter physics (including formerly solid state physics, supercond.)

Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year
2019
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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