Ceron-Carrasco

Kawski A, Kuklinski B, Bojarski P (2002) Z Naturforsch A 57A 716 Suppan P, Ghoneim N (1997) Solvatochromism. The Royal Society of Chemistry, London Koutek B (1978) Collect Czech Chem Common 43 2368. Onsager cavity radius ao = 4.41 A, from DPT Cam-B3LYP/6-31 + G(d)//IEF-PCM(UFF) calculations (present work) Ceron-Carrasco IP, Jacquemin D, Laurence C, Planchat A, Reichardt C, Sratdi K (2014) J Phys Chem B 118 4605... 

Especially interesting are the computational results of Ceron-Carrasco et al. [72] who investigated the double proton-relay for the G-C complex with three intermolecular hydrogen bonds (Figure 6.6). The water molecules reside on the periphery of the complex and therefore cannot directly participate in the proton transfer for the middle hydrogen bond. The authors conclude that the double proton-relay process is sequential thus the above first proton-relay necessarily leads to the formation of a zwitterionic structure. 

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