Infrared and microwave spectra of the acetylene–ammonia and carbonyl sulfide–ammonia complexes: a comparative study of a weak C–H⋯N hydrogen bond and an S⋯N bond

2011 ◽  
Vol 13 (31) ◽  
pp. 14235 ◽  
Author(s):  
Xunchen Liu ◽  
Yunjie Xu
2015 ◽  
Vol 93 (6) ◽  
pp. 626-631
Author(s):  
Zahra Fallah Ebrahimi ◽  
Mehdi D. Esrafili ◽  
Esmail Vessally

A comparative ab initio study is performed to investigate the cooperativity between the N···H hydrogen bond and the N···Y interactions in XCN···HCN···YCN complexes, where X = H, F, and Y = H, Li, F, Cl, and Br. To understand the properties of the systems better, the corresponding dimers are also studied. It is found that the lithium bond has a larger influence on the hydrogen bond than vice versa. The shortening of the N···H distances in the trimers is dependent on the strength of the H···Y interactions and they become larger in the order lithium bond > hydrogen bond > halogen bond. The estimated values of cooperative energy Ecoop are all negative with much larger Ecoop in absolute value for the systems including lithium.


ChemPhysChem ◽  
2015 ◽  
Vol 16 (12) ◽  
pp. 2594-2601 ◽  
Author(s):  
Yan-Zhen Zheng ◽  
Geng Deng ◽  
Yu Zhou ◽  
Hai-Yuan Sun ◽  
Zhi-Wu Yu

The Analyst ◽  
2013 ◽  
Vol 138 (5) ◽  
pp. 1570 ◽  
Author(s):  
Weiguo Tian ◽  
Wen Mi ◽  
Jintao Tian ◽  
Jinqian Jia ◽  
Xiaoyun Liu ◽  
...  

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