CO2 Photoactivation Study of Adenine Nucleobase: Role of Hydrogen‐Bonding Traction

The discovery and in‐depth study of non‐biocatalytic applications of active biomolecules are essential for the development of biomimicry. Here, the effect of intermolecular hydrogen‐bonding traction on the CO2 photoactivation performance of adenine nucleobase by means of an adenine‐containing model...

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Bibliographic Details
Published in:Small (Weinheim an der Bergstrasse, Germany) Germany), 2023-02, Vol.19 (5), p.e2206724-n/a
Main Authors: Li, Ning, Yao, Su‐Juan, Wei, Mei‐Jie, He, Jun, Chi, Weijie, Lan, Ya‐Qian
Format: Article
Language:English
Subjects:
Adenine
adenine nucleobase
Biomolecules
Bonding strength
Carbon dioxide
Carboxylic acids
CO 2 photoactivation
Density functional theory
Hydrogen
hydrogen bonding
metal–organic frameworks
Nanotechnology
Traction
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Summary:The discovery and in‐depth study of non‐biocatalytic applications of active biomolecules are essential for the development of biomimicry. Here, the effect of intermolecular hydrogen‐bonding traction on the CO2 photoactivation performance of adenine nucleobase by means of an adenine‐containing model system (AMOF‐1−4) is uncovered. Remarkably, the hydrogen‐bonding schemes around adenines are regularly altered with the increase in the alkyl (methyl, ethyl, isopropyl, and tert‐butyl) electron‐donating capacity of the coordinated aliphatic carboxylic acids, and thus, lead to a stepwise improvement in CO2 photoreduction activity. Density functional theory calculations demonstrate that strong intermolecular hydrogen‐bonding traction surrounding adenine can obviously increase the adenine‐CO2 interaction energy and, therefore, result in a smoother CO2 activation process. Significantly, this work also provides new inspiration for expanding the application of adenine to more small‐molecule catalytic reactions. For the first time, the important effect of the strength of intermolecular contacts around adenine nucleobases on their CO2 photoactivation application is uncovered by investigating an adenine‐containing biomimetic model system (AMOF‐1–4). The results show that the enhancement of intermolecular hydrogen‐bonding traction can significantly increase the adenine‐CO2 interaction energy and, thus, effectively improve the CO2 photoreduction performance.
ISSN:1613-6810
1613-6829
DOI:10.1002/smll.202206724