Journal
JOURNAL OF PHYSICAL CHEMISTRY A
Volume 115, Issue 41, Pages 11423-11427Publisher
AMER CHEMICAL SOC
DOI: 10.1021/jp205831n
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Funding
- National Science Foundation [CHE-0911564]
- Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic [Z40550506]
- Ministry of Education, Youth and Sports, Czech Republic [LC512]
- Grant Agency of the Academy of Sciences of the Czech Republic [IAA400550808]
- Borchard Foundation
- Direct For Mathematical & Physical Scien [0911564] Funding Source: National Science Foundation
- Division Of Chemistry [0911564] Funding Source: National Science Foundation
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We report the structure of dusters of 2,4-diaminopyrimidine with 3,7-dimethylxanthine (theobromine) in the gas phase determined by IR-UV double resonance spectroscopy in both the near-IR and mid-IR regions in combination with ab initio computations. These clusters represent potential alternate nucleobase pairs, geometrically equivalent to guanine cytosine. We have found the four lowest energy structures, which include the Watson Crick base pairing motif. This Watson Crick structure has not been observed by resonant two-photon ionization (R2PI) in the gas phase for the canonical DNA base pairs.
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