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• W2900121697 abstract "Ab initio MP2/aug-cc-pVDZ calculations have been carried out to study the effect of F − H···F hydrogen bonds on the As···X pnicogen bond in X…AsH2F…HF complexes (X = NR3, PR3 and OR2; R = CH3, H, F). The formation of F − H···F hydrogen bonds leads to shortening of the As···X distances and strengthening of the As···X interactions. The decrease of the pnicogen bond distance in the complexes is cost of electron-giving of X molecule that increased in the order R = CH3 > H > F for R substituents on X molecule. These effects are studied in the relationships of the structural characteristics, energetic, charge-transfer and electron density assets of the complexes. A satisfactory cooperative effect, with values that ranged between −0.10 and −3.98 kcal/mole, is found in the complexes." @default.
• W2900121697 created "2018-11-16" @default.
• W2900121697 creator A5003434442 @default.
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• W2900121697 date "2018-11-02" @default.
• W2900121697 modified "2023-09-25" @default.
• W2900121697 title "Cooperative effect between pnicogen bond and hydrogen bond interactions in typical X…AsH2F…HF complexes (X = NR3, PR3 and OR2; R = CH3, H, F)" @default.
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• W2900121697 doi "https://doi.org/10.1080/10426507.2018.1513514" @default.
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