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rdf:type
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Description
| - Hydrogen bonding plays a very important role in a wide range of molecular structures and supramolecular complexes. Unfortunately, hydrogen bonds are difficult to quantify by X-ray crystallography because of the low scattering cross-section of hydrogen atoms. As a result, NMR spectroscopy represents very important source of information. Nitrogen atoms are found in the centers of intermolecular hydrogen bonds. Careful analysis and interpretation of nitrogen chemical shift tensor (CST) furnishes a detailed model of electron distribution in the system under investigation. Solid-state NMR parameters are correlated with X-ray determined structures. Quantum chemical calculations of chemical shifts allow for detailed analysis of the origin of principal components of the CST. Benefits of studying the structure and intermolecular interactions of purine derivatives by all these methods will be discussed.
- Hydrogen bonding plays a very important role in a wide range of molecular structures and supramolecular complexes. Unfortunately, hydrogen bonds are difficult to quantify by X-ray crystallography because of the low scattering cross-section of hydrogen atoms. As a result, NMR spectroscopy represents very important source of information. Nitrogen atoms are found in the centers of intermolecular hydrogen bonds. Careful analysis and interpretation of nitrogen chemical shift tensor (CST) furnishes a detailed model of electron distribution in the system under investigation. Solid-state NMR parameters are correlated with X-ray determined structures. Quantum chemical calculations of chemical shifts allow for detailed analysis of the origin of principal components of the CST. Benefits of studying the structure and intermolecular interactions of purine derivatives by all these methods will be discussed. (en)
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Title
| - Determination of N-H...H hydrogen bond strength by analyzing 15N chemical shift tensor and electron density
- Determination of N-H...H hydrogen bond strength by analyzing 15N chemical shift tensor and electron density (en)
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skos:prefLabel
| - Determination of N-H...H hydrogen bond strength by analyzing 15N chemical shift tensor and electron density
- Determination of N-H...H hydrogen bond strength by analyzing 15N chemical shift tensor and electron density (en)
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skos:notation
| - RIV/00216224:14310/05:00013916!RIV10-MSM-14310___
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http://linked.open...avai/riv/aktivita
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http://linked.open...avai/riv/aktivity
| - Z(MSM0021622413), Z(MSM0021622415), Z(MSM6198959218)
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http://linked.open...vai/riv/dodaniDat
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http://linked.open...aciTvurceVysledku
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http://linked.open.../riv/druhVysledku
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http://linked.open...iv/duvernostUdaju
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http://linked.open...titaPredkladatele
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http://linked.open...dnocenehoVysledku
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http://linked.open...ai/riv/idVysledku
| - RIV/00216224:14310/05:00013916
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http://linked.open...riv/jazykVysledku
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http://linked.open.../riv/klicovaSlova
| - NMR; hydrogen bond; purine; shift tensor; electron density (en)
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http://linked.open.../riv/klicoveSlovo
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http://linked.open...ontrolniKodProRIV
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http://linked.open...v/mistoKonaniAkce
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http://linked.open...i/riv/mistoVydani
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http://linked.open...i/riv/nazevZdroje
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http://linked.open...in/vavai/riv/obor
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http://linked.open...ichTvurcuVysledku
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http://linked.open...cetTvurcuVysledku
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http://linked.open...UplatneniVysledku
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http://linked.open...iv/tvurceVysledku
| - Marek, Radek
- Marek, Jaromír
- Sklenář, Vladimír
- Trávníček, Zdeněk
- Brus, Jiří
- Toušek, Jaromír
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http://linked.open...vavai/riv/typAkce
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http://linked.open.../riv/zahajeniAkce
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http://linked.open...n/vavai/riv/zamer
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number of pages
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http://purl.org/ne...btex#hasPublisher
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https://schema.org/isbn
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http://localhost/t...ganizacniJednotka
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