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An Electrochemical and Computational Analysis of Electronic Communication in a “Molecular Spider”
Author(s) -
Mohammad M.,
Rauf A.,
Rauf S.
Publication year - 2017
Publication title -
chemistryselect
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.437
H-Index - 34
ISSN - 2365-6549
DOI - 10.1002/slct.201700317
Subject(s) - spider , redox , molecule , electrochemistry , chemistry , reaction rate constant , acceptor , density functional theory , electronic communication , computational chemistry , chemical physics , inorganic chemistry , physics , organic chemistry , computer science , kinetics , condensed matter physics , electrode , quantum mechanics , astronomy , telecommunications
Abstract A reversible “3S” ‐ sharing, spreading and storing ‐ information strategy has been proposed which explains electronic communication at molecular level. Cyclic voltammetric and computational response reveal that disaccharide sucrose molecule coupled with tetrachlorobenzoquinone dianion (TCBQ 2− ) forms weak donor ‐ acceptor hydrogen bonded complex. DFT studies feature this redox couple to a unique geometry – a spider like molecule. This molecular spider switches, ON/OFF via redox response by 3S strategy. Electronegative atoms (such as “oxygen”) are supposed to be more prone to electronic communication process. The extent as well as rate of molecular communication could be estimated by stability constant (K a ) and rate constant (k m ). The values of K a and k m were found to be 7.5×10 4 M −m and 1.33(±1.0)×10 8 M −m . s −1 (1.2(±1.0) ×10 6 M −m . s −1 ) respectively.