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Trends in Photochemistry & Photobiology   Volumes    Volume 19 
Structures, DFT calculations and emission properties of protonated adenine, cytosine and guanine bases
Naokazu Yoshikawa, Shoko Yamazaki, Kana Kimori, Yuna Kakimoto, Kanako Mito, Shiori Eguchi, Risa Yokoyama, Nobuko Kanehisa, Norimitsu Tohnai, Eiji Nakata, Hiroshi Takashima
Pages: 1 - 16
Number of pages: 16
Trends in Photochemistry & Photobiology
Volume 19 

Copyright © 2020 Research Trends. All rights reserved

Six crystals of protonated DNA bases, [adenine (N1,N7)H2]Cl2 ([A(N1,N7)H2]Cl2), [adenine(N1)H] PF6 ([A(N1)H]PF6), [cytosine(N7)H]Cl ([C(N7)H]Cl), [cytosine(N3)H]PF6 ([C(N3)H]PF6), [guanine(N10)H]Cl ([G(N10)H]Cl) and [guanine(N7)H]H2PO4 ([G(N7)H]P) were newly prepared by the reaction of DNA bases, where A = adenine, C = cytosine, G = guanine, and P = H2PO4- anion, with concentrated HCl or H3PO4. They were characterized by X-ray analysis and ultraviolet-visible (UV-vis) spectroscopy. Comparison of calculated bond lengths and angles between ground states and singlet excited states for the compounds were examined using density functional theory (DFT). A weak emission in H2O solution was observed in [A(N1,N7)H2]Cl2 due to the formation of hydrogen bond between the protonated base and the Cl- anion.
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