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Self-assembling purine and pteridine quartets: how do ?-conjugation patterns affect resonance-assisted hydrogen bonding?


ABSTRACT: Computed association strengths for 43 purine and pteridine quartets (38 to 100 kcal mol-1) show excellent linear correlation with ?-conjugation gain in the assembled monomers (r2 = 0.965). Even quartets having the same secondary electrostatic interactions can display very different association strengths depending on the ?-conjugation patterns of the monomeric units.

SUBMITTER: Paudel HR 

PROVIDER: S-EPMC7053557 | biostudies-literature | 2020 Feb

REPOSITORIES: biostudies-literature

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Self-assembling purine and pteridine quartets: how do π-conjugation patterns affect resonance-assisted hydrogen bonding?

Paudel Hari Ram HR   Das Ranjita R   Wu Chia-Hua CH   Wu Judy I JI  

Organic & biomolecular chemistry 20200122 6


Computed association strengths for 43 purine and pteridine quartets (38 to 100 kcal mol<sup>-1</sup>) show excellent linear correlation with π-conjugation gain in the assembled monomers (r<sup>2</sup> = 0.965). Even quartets having the same secondary electrostatic interactions can display very different association strengths depending on the π-conjugation patterns of the monomeric units. ...[more]

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