Global Search for Stable C<sub>4</sub>H<sub>5</sub>NO Compounds—Guinness Molecules and Stability Islands
Global reaction route mapping (GRRM) analysis for compounds with the formula C<sub>4</sub>H<sub>5</sub>NO allowed for the detection of the corresponding “Guinness molecules” <b>000</b> and <b>001</b>, as well as around 150 other stable minima of the sa...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
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MDPI AG
2023-01-01
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| Series: | Molecules |
| Subjects: | |
| Online Access: | https://www.mdpi.com/1420-3049/28/2/728 |
| _version_ | 1797438242300100608 |
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| author | Oleg A. Mikhaylov Ilya D. Gridnev |
| author_facet | Oleg A. Mikhaylov Ilya D. Gridnev |
| author_sort | Oleg A. Mikhaylov |
| collection | DOAJ |
| description | Global reaction route mapping (GRRM) analysis for compounds with the formula C<sub>4</sub>H<sub>5</sub>NO allowed for the detection of the corresponding “Guinness molecules” <b>000</b> and <b>001</b>, as well as around 150 other stable minima of the same composition. The results suggest that compounds of similar functionality form a kind of “Stability Island” with their free energies of formation falling within s relatively limited range. |
| first_indexed | 2024-03-09T11:34:50Z |
| format | Article |
| id | doaj.art-4a8b1c98f42949479b658b9b003cbd4c |
| institution | Directory Open Access Journal |
| issn | 1420-3049 |
| language | English |
| last_indexed | 2024-03-09T11:34:50Z |
| publishDate | 2023-01-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Molecules |
| spelling | doaj.art-4a8b1c98f42949479b658b9b003cbd4c2023-11-30T23:44:00ZengMDPI AGMolecules1420-30492023-01-0128272810.3390/molecules28020728Global Search for Stable C<sub>4</sub>H<sub>5</sub>NO Compounds—Guinness Molecules and Stability IslandsOleg A. Mikhaylov0Ilya D. Gridnev1N. D. Zelinsky Institute of Organic Chemistry, Leninsky Prosp. 47, 119991 Moscow, RussiaN. D. Zelinsky Institute of Organic Chemistry, Leninsky Prosp. 47, 119991 Moscow, RussiaGlobal reaction route mapping (GRRM) analysis for compounds with the formula C<sub>4</sub>H<sub>5</sub>NO allowed for the detection of the corresponding “Guinness molecules” <b>000</b> and <b>001</b>, as well as around 150 other stable minima of the same composition. The results suggest that compounds of similar functionality form a kind of “Stability Island” with their free energies of formation falling within s relatively limited range.https://www.mdpi.com/1420-3049/28/2/728Guinness moleculesrelative stabilitiesN-O heterocyclescyanoketonessinglet carbenesisonitriles |
| spellingShingle | Oleg A. Mikhaylov Ilya D. Gridnev Global Search for Stable C<sub>4</sub>H<sub>5</sub>NO Compounds—Guinness Molecules and Stability Islands Molecules Guinness molecules relative stabilities N-O heterocycles cyanoketones singlet carbenes isonitriles |
| title | Global Search for Stable C<sub>4</sub>H<sub>5</sub>NO Compounds—Guinness Molecules and Stability Islands |
| title_full | Global Search for Stable C<sub>4</sub>H<sub>5</sub>NO Compounds—Guinness Molecules and Stability Islands |
| title_fullStr | Global Search for Stable C<sub>4</sub>H<sub>5</sub>NO Compounds—Guinness Molecules and Stability Islands |
| title_full_unstemmed | Global Search for Stable C<sub>4</sub>H<sub>5</sub>NO Compounds—Guinness Molecules and Stability Islands |
| title_short | Global Search for Stable C<sub>4</sub>H<sub>5</sub>NO Compounds—Guinness Molecules and Stability Islands |
| title_sort | global search for stable c sub 4 sub h sub 5 sub no compounds guinness molecules and stability islands |
| topic | Guinness molecules relative stabilities N-O heterocycles cyanoketones singlet carbenes isonitriles |
| url | https://www.mdpi.com/1420-3049/28/2/728 |
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