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DC Field | Value | Language |
---|---|---|
dc.citation.number | 22 | - |
dc.citation.title | JOURNAL OF CHEMICAL PHYSICS | - |
dc.citation.volume | 122 | - |
dc.contributor.author | Ritze, HH | - |
dc.contributor.author | Lippert, H | - |
dc.contributor.author | Samoylova, E | - |
dc.contributor.author | Smith, VR | - |
dc.contributor.author | Hertel, IV | - |
dc.contributor.author | Radloff, W | - |
dc.contributor.author | Schultz, Thomas | - |
dc.date.accessioned | 2023-12-22T10:36:11Z | - |
dc.date.available | 2023-12-22T10:36:11Z | - |
dc.date.created | 2022-03-28 | - |
dc.date.issued | 2005-06 | - |
dc.description.abstract | Ab initio calculations and time-resolved photoionization spectroscopy were carried out to characterize the role of the lowest two pi sigma(*) excited states for the photoinduced processes in the adenine monomer, adenine dimer, and adenine-water clusters. The calculations show-with respect to the monomer-a stabilization of 0.11-0.14 eV for the pi sigma(*) states in different isomers of adenine dimer and an even bigger stabilization of 0.14-0.36 eV for isomers of adenine-(H2O)(1) and adenine-(H2O)(3). Hence, the stabilized pi sigma(*) states should play an important role in the excited-state relaxation of partially or fully solvated adenine. This conclusion is supported by experimental results: In the adenine monomer, strong n pi(*) state signals are observed. Those signals are reduced in adenine dimer and vanish in water clusters due to the competing relaxation via the pi sigma(*) states. | - |
dc.identifier.bibliographicCitation | JOURNAL OF CHEMICAL PHYSICS, v.122, no.22 | - |
dc.identifier.doi | 10.1063/1.1914763 | - |
dc.identifier.issn | 0021-9606 | - |
dc.identifier.scopusid | 2-s2.0-20544442424 | - |
dc.identifier.uri | https://scholarworks.unist.ac.kr/handle/201301/57689 | - |
dc.identifier.wosid | 000229858500039 | - |
dc.language | 영어 | - |
dc.publisher | AMER INST PHYSICS | - |
dc.title | Relevance of pi sigma(*) states in the photoinduced processes of adenine, adenine dimer, and adenine-water complexes | - |
dc.type | Article | - |
dc.description.isOpenAccess | FALSE | - |
dc.relation.journalWebOfScienceCategory | Chemistry, Physical; Physics, Atomic, Molecular & Chemical | - |
dc.relation.journalResearchArea | Chemistry; Physics | - |
dc.type.docType | Article | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
dc.subject.keywordPlus | NUCLEIC-ACID BASES | - |
dc.subject.keywordPlus | REPULSIVE (1)PI-SIGMA-ASTERISK STATES | - |
dc.subject.keywordPlus | MOLECULAR-ORBITAL METHODS | - |
dc.subject.keywordPlus | EXCITED SINGLET-STATES | - |
dc.subject.keywordPlus | JET-COOLED ADENINE | - |
dc.subject.keywordPlus | VALENCE BASIS-SETS | - |
dc.subject.keywordPlus | AB-INITIO | - |
dc.subject.keywordPlus | HYDROGEN-TRANSFER | - |
dc.subject.keywordPlus | FLUORESCENCE SPECTROSCOPY | - |
dc.subject.keywordPlus | NONRADIATIVE DECAY | - |
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