Solid-State Chemistry and Polymorphism of the Nucleobase Adenine (CROSBI ID 227494)
Prilog u časopisu | izvorni znanstveni rad | međunarodna recenzija
Podaci o odgovornosti
Stolar, Tomislav ; Lukin, Stipe ; Požar, Josip ; Rubčić, Mirta ; Day, Graeme M. ; Biljan, Ivana ; Šišak Jung, Dubravka ; Horvat, Gordan ; Užarević, Krunoslav ; Meštrović, Ernest ; Halasz, Ivan
engleski
Solid-State Chemistry and Polymorphism of the Nucleobase Adenine
The nucleobase adenine plays a pivotal role in the chemistry of life but is also becoming increasingly interesting as a building block in the synthesis of functional solid materials. Although commercially available as a solid, adenine’s solid-state chemistry has so far been neglected. In this comprehensive study it is shown that adenine is most often marketed as a mixture of two polymorphs, one previously known and a new polymorph. Both polymorphs exhibit layered structures with different hydrogen-bonding patterns within layers. The crystal structure of the new polymorph was elucidated using synchrotron powder X- ray diffraction. Polymorph occurrence conditions, interconversion, and the difference in their thermodynamic stability were established theoretically and experimentally revealing the polymorph with Z' = 2 (known) as stable relative to the polymorph with Z' = 1 (new). The adenine layers in both polymorphs are connected by weak interactions likely resulting in stacking faults which are manifested in anisotropic line broadening of their powder diffraction patterns. Analysis of a few commercial samples of adenine revealed them all to be a polymorph mixture, which could be inconvenient in experiments where properties of the solid material could be relevant.
adenine ; polymorphism ; solid-state ; powder diffraction ; thermodynamics
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Podaci o izdanju
16 (6)
2016.
3262-3270
objavljeno
1528-7483
1528-7505
10.1021/acs.cgd.6b00243