Abstract

The electromagnetic non-bonded interactions of BN(-,0,+)B molecule as a quantum rotor inside several of BnNn molecular rings as a stator has been investigated by using EPR-II and EPR-III basis sets. Optimized structures, relative stability and hyperfine spectroscopic parameters, have been calculated.In this study, we have shown that the BnNn–BNB systems can be works as a nano rotor–stator molecular motor for the biological systems.Although in our previous works, we have discussed (Monajjemi et al. (2010) [20] and Monajjemi and Boggs (2013) [18]) of the stability and electromagnetic properties of some kind of BnNn rings, using of these systems as a detector are much more significant and have investigated in this work.The study for the BnNn–BN(-,0,+)B systems and then for Adenine–Thymine and Guanine–Cytosine base pairs coupled with BN(-,0,+)B inside the BnNn (n=8,12,15,16,18,20,24) have been investigated. Three quantized rotational frequencies in cationic, radical, and anionic forms have been calculated and all frequencies appeared in the IR rotational region.

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