Proton magnetic shielding tensors in benzene-from the individual molecule to the crystal

Three chem. distinct calcd. proton shielding tensors of solid benzene - a consequence of interactions in the crystal - can be described as the superposition of the isolated mol. and the intermol. shielding contributions. In the ovaloid representations of the shielding tensors 1, 2, and 3 indicate the least, intermediate, and the most shielded principal axes, resp. [on SciFinder (R)]


Published in:
Angewandte Chemie, International Edition, 45, 43, 7292-7295
Year:
2006
Keywords:
Note:
CAN 146:100281
22-10
Physical Organic Chemistry
Fachbereich Chemie,Technische Universitaet Dresden,Dresden,Germany.
Journal
1433-7851
written in English.
71-43-2 (Benzene) Role: PRP (Properties) (proton magnetic shielding tensors in benzene crystal)
Laboratories:




 Record created 2007-10-22, last modified 2018-03-17


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