Theoretical insight into the hybridization effect of donor and acceptor atoms on the cooperativity of C–H···N hydrogen bonds

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作者
Mojtaba Ghaffari
Hamid Reza Masoodi
Sotoodeh Bagheri
机构
[1] Vali-e-Asr University of Rafsanjan,Department of Chemistry, Faculty of Science
来源
Journal of Molecular Modeling | 2021年 / 27卷
关键词
Hydrogen bond; Cooperativity; Hybridization; Interaction and deformation energies;
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[1]  
Mo Y(2006)Probing the nature of hydrogen bonds in DNA base pairs J Mol Model 12 665-672
[2]  
Weinhold F(2014)What is a hydrogen bond? Resonance covalency in the supramolecular domain Chem Educ Res Pract 15 276-285
[3]  
Klein RA(2015)Luminescent polymers and blends with hydrogen bond interactions Polym Chem 6 497-508
[4]  
Huang SH(1982)Crystallographic evidence for the existence of C-H···O, C-H···N, and C-H···Cl hydrogen bonds J Am Chem Soc 104 5063-5070
[5]  
Chiang YW(2015)The significant role of the intermolecular CH···O/N hydrogen bonds in governing the biologically important pairs of the DNA and RNA modified bases: a comprehensive theoretical investigation J Biomol Struct Dyn 33 1624-1652
[6]  
Hong JL(2015)The power of nonconventional phenyl C–H···N hydrogen bonds: supportive crystal-packing force and dominant supramolecular engineering force Cryst Growth Des 15 1634-1641
[7]  
Taylor R(2005)CH···N and CH···S hydrogen bonds. Influence of hybridization on their strength J Phys Chem A 109 5683-5688
[8]  
Kennard O(2001)C-H...X hydrogen bonds of acetylene, ethylene and ethane with first- and second-row hydrides J Phys Chem A 105 4470-4479
[9]  
Brovarets’ OO(2001)A theoretical investigation of the effects of electronegative substitution on the strength of CH⋯N hydrogen bonds J Phys Chem A 105 8718-8726
[10]  
Yurenko YP(2018)Hybridization of nitrogen determines hydrogen-bond acceptor strength: gas-phase comparison of redshifts and equilibrium constants J Phys Chem A 122 3899-3908