Pseudo-Bifurcated Chalcogen Bond in Crystal Engineering
The concept of pseudo-bifurcated chalcogen bond has been proposed for the first time in this paper. It was found that the anticooperative effects between two chalcogen bonds of the pseudo-bifurcated chalcogen bond are not very large as compared to those of the true bifurcated noncovalent bond. Accor...
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| Language: | English |
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MDPI AG
2018-04-01
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| Series: | Crystals |
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| Online Access: | http://www.mdpi.com/2073-4352/8/4/163 |
| _version_ | 1828395082795974656 |
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| author | Yu Zhang Weizhou Wang |
| author_facet | Yu Zhang Weizhou Wang |
| author_sort | Yu Zhang |
| collection | DOAJ |
| description | The concept of pseudo-bifurcated chalcogen bond has been proposed for the first time in this paper. It was found that the anticooperative effects between two chalcogen bonds of the pseudo-bifurcated chalcogen bond are not very large as compared to those of the true bifurcated noncovalent bond. According to the nature of pseudo-bifurcated chalcogen bond, we designed some strong pseudo-bifurcated chalcogen bond synthons. The binding energy of the strongest pseudo-bifurcated chalcogen bond attains about 27 kcal/mol. These strong pseudo-bifurcated chalcogen bond synthons have great potential as building blocks in crystal engineering. |
| first_indexed | 2024-12-10T08:05:25Z |
| format | Article |
| id | doaj.art-4e8f10a2ddec4721ac064b9f1b39ef8b |
| institution | Directory Open Access Journal |
| issn | 2073-4352 |
| language | English |
| last_indexed | 2024-12-10T08:05:25Z |
| publishDate | 2018-04-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Crystals |
| spelling | doaj.art-4e8f10a2ddec4721ac064b9f1b39ef8b2022-12-22T01:56:41ZengMDPI AGCrystals2073-43522018-04-018416310.3390/cryst8040163cryst8040163Pseudo-Bifurcated Chalcogen Bond in Crystal EngineeringYu Zhang0Weizhou Wang1College of Chemistry and Chemical Engineering, and Henan Key Laboratory of Function-Oriented Porous Materials, Luoyang Normal University, Luoyang 471934, ChinaCollege of Chemistry and Chemical Engineering, and Henan Key Laboratory of Function-Oriented Porous Materials, Luoyang Normal University, Luoyang 471934, ChinaThe concept of pseudo-bifurcated chalcogen bond has been proposed for the first time in this paper. It was found that the anticooperative effects between two chalcogen bonds of the pseudo-bifurcated chalcogen bond are not very large as compared to those of the true bifurcated noncovalent bond. According to the nature of pseudo-bifurcated chalcogen bond, we designed some strong pseudo-bifurcated chalcogen bond synthons. The binding energy of the strongest pseudo-bifurcated chalcogen bond attains about 27 kcal/mol. These strong pseudo-bifurcated chalcogen bond synthons have great potential as building blocks in crystal engineering.http://www.mdpi.com/2073-4352/8/4/163chalcogen bondbifurcated chalcogen bondpseudo-bifurcated chalcogen bondsynthonscrystal engineering |
| spellingShingle | Yu Zhang Weizhou Wang Pseudo-Bifurcated Chalcogen Bond in Crystal Engineering Crystals chalcogen bond bifurcated chalcogen bond pseudo-bifurcated chalcogen bond synthons crystal engineering |
| title | Pseudo-Bifurcated Chalcogen Bond in Crystal Engineering |
| title_full | Pseudo-Bifurcated Chalcogen Bond in Crystal Engineering |
| title_fullStr | Pseudo-Bifurcated Chalcogen Bond in Crystal Engineering |
| title_full_unstemmed | Pseudo-Bifurcated Chalcogen Bond in Crystal Engineering |
| title_short | Pseudo-Bifurcated Chalcogen Bond in Crystal Engineering |
| title_sort | pseudo bifurcated chalcogen bond in crystal engineering |
| topic | chalcogen bond bifurcated chalcogen bond pseudo-bifurcated chalcogen bond synthons crystal engineering |
| url | http://www.mdpi.com/2073-4352/8/4/163 |
| work_keys_str_mv | AT yuzhang pseudobifurcatedchalcogenbondincrystalengineering AT weizhouwang pseudobifurcatedchalcogenbondincrystalengineering |