Dear All, I have a basic question related to charge transfer among molecules:
Let's assume there are two pairs of molecules. Mol A and Mol B, Mol C and Mol D Using QM calculations, the total charge on these molecules is calculated; those are (assume units as e-) Mol A (0.0 e-) Mol B(-0.5 e-) Mol C (-0.4 e-) Mol D(-0.9 e-) Considering these pairs, where the difference is (-0.5), I have been confused about whether only a difference across the molecular charges facilitates the charge transfer irrespective of the sign or whether it is like opposite charges favor charge transfer whereas the same charges would not? What do you think? Which among these two pairs would relatively favor the formation of the charge-transfer complex. Mol A and Mol B OR Mol C and Mol D Looking forward to understanding this, through your thoughts. -- with regards Amit Singh ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
