On the similar spectral manifestations of protonic and hydridic hydrogen bonds despite their different origin
Abstract Previously studied complexes with protonic and hydridic hydrogen bonds exhibit significant similarities. The present study provides a detailed investigation of the structure, stabilization, electronic properties, and spectral characteristics of protonic and hydridic hydrogen bonds using low...
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| Format: | Article |
| Language: | English |
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Nature Portfolio
2024-11-01
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| Series: | Communications Chemistry |
| Online Access: | https://doi.org/10.1038/s42004-024-01334-9 |
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| author | Maximilián Lamanec Svatopluk Civiš Pavel Hobza |
| author_facet | Maximilián Lamanec Svatopluk Civiš Pavel Hobza |
| author_sort | Maximilián Lamanec |
| collection | DOAJ |
| description | Abstract Previously studied complexes with protonic and hydridic hydrogen bonds exhibit significant similarities. The present study provides a detailed investigation of the structure, stabilization, electronic properties, and spectral characteristics of protonic and hydridic hydrogen bonds using low-temperature infrared (IR) spectroscopy and computational methods. Complexes of pentafluorobenzene with ammonia (C₆F₅H⋯NH₃) and triethylgermane with trifluoroiodomethane (Et₃GeH⋯ICF₃) were analyzed using both experimental and computational tools. Additionally, 30 complexes with protonic hydrogen bonds and 30 complexes with hydridic hydrogen bonds were studied computationally. Our findings reveal that, despite the opposite atomic charges on the hydrogens in these hydrogen bonds, and consequently the opposite directions of electron transfer in protonic and hydridic hydrogen bonds, their spectral manifestations - specifically, the red shifts in the X–H stretching frequency and the increase in intensity - are remarkably similar. The study also discusses the limitations of the current IUPAC definition of hydrogen bonding in covering both types of H-bonds and suggests a way to overcome these limitations. |
| format | Article |
| id | doaj-art-89e1183c35384aab8d80c2fc94114005 |
| institution | Kabale University |
| issn | 2399-3669 |
| language | English |
| publishDate | 2024-11-01 |
| publisher | Nature Portfolio |
| record_format | Article |
| series | Communications Chemistry |
| spelling | doaj-art-89e1183c35384aab8d80c2fc941140052024-11-10T12:11:56ZengNature PortfolioCommunications Chemistry2399-36692024-11-01711710.1038/s42004-024-01334-9On the similar spectral manifestations of protonic and hydridic hydrogen bonds despite their different originMaximilián Lamanec0Svatopluk Civiš1Pavel Hobza2Institute of Organic Chemistry and Biochemistry of the Czech Academy of SciencesJ. Heyrovský Institute of Physical Chemistry, Czech Academy of SciencesInstitute of Organic Chemistry and Biochemistry of the Czech Academy of SciencesAbstract Previously studied complexes with protonic and hydridic hydrogen bonds exhibit significant similarities. The present study provides a detailed investigation of the structure, stabilization, electronic properties, and spectral characteristics of protonic and hydridic hydrogen bonds using low-temperature infrared (IR) spectroscopy and computational methods. Complexes of pentafluorobenzene with ammonia (C₆F₅H⋯NH₃) and triethylgermane with trifluoroiodomethane (Et₃GeH⋯ICF₃) were analyzed using both experimental and computational tools. Additionally, 30 complexes with protonic hydrogen bonds and 30 complexes with hydridic hydrogen bonds were studied computationally. Our findings reveal that, despite the opposite atomic charges on the hydrogens in these hydrogen bonds, and consequently the opposite directions of electron transfer in protonic and hydridic hydrogen bonds, their spectral manifestations - specifically, the red shifts in the X–H stretching frequency and the increase in intensity - are remarkably similar. The study also discusses the limitations of the current IUPAC definition of hydrogen bonding in covering both types of H-bonds and suggests a way to overcome these limitations.https://doi.org/10.1038/s42004-024-01334-9 |
| spellingShingle | Maximilián Lamanec Svatopluk Civiš Pavel Hobza On the similar spectral manifestations of protonic and hydridic hydrogen bonds despite their different origin Communications Chemistry |
| title | On the similar spectral manifestations of protonic and hydridic hydrogen bonds despite their different origin |
| title_full | On the similar spectral manifestations of protonic and hydridic hydrogen bonds despite their different origin |
| title_fullStr | On the similar spectral manifestations of protonic and hydridic hydrogen bonds despite their different origin |
| title_full_unstemmed | On the similar spectral manifestations of protonic and hydridic hydrogen bonds despite their different origin |
| title_short | On the similar spectral manifestations of protonic and hydridic hydrogen bonds despite their different origin |
| title_sort | on the similar spectral manifestations of protonic and hydridic hydrogen bonds despite their different origin |
| url | https://doi.org/10.1038/s42004-024-01334-9 |
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