Linked Life Data

19421558

Source:http://linkedlifedata.com/resource/pubmed/id/19421558

Statements in which the resource exists as a subject.
PredicateObject
rdf:type
lifeskim:mentions
pubmed:issue
18
pubmed:dateCreated
2009-5-7
pubmed:abstractText
Phenylhydrazine and its van der Waals complexes with one or two argon atoms were investigated with theoretical calculations and resonant two photon ionization (R2PI) spectroscopy. The ab initio and DFT calculations found a conversion of the orbital hybridization of the Nbeta atom from sp3-like in the S0 state to sp2-like in the S1 state, suggesting that the lone pair electrons of the Nbeta atom are involved in a super p-p-pi conjugation over the skeleton of phenylhydrazine in the S1 state. The structural change of the hydrazino group in the S1<--S0 electronic transition was reflected by the vibrational excitations of the hydrazino group observed in the 1C-R2PI spectrum. The band origin of the S1<--S0 transition is determined to be 33610 cm(-1) and the adiabatic ionization energy (IE) of phenylhydrazine, measured by 2C-R2PI spectroscopy, is 62829+/-15 cm(-1). The S1<--S0 electronic transitions of phenylhydrazine-Ar and phenylhydrazine-Ar2 complexes were also observed in the 1C-R2PI spectrum, and their band origins are, respectively, red-shifted by 39 and 80 cm(-1) from that of phenylhydrazine.
pubmed:language
eng
pubmed:journal
pubmed:status
PubMed-not-MEDLINE
pubmed:month
May
pubmed:issn
1463-9076
pubmed:author
pubmed:issnType
Print
pubmed:day
14
pubmed:volume
11
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
3532-8
pubmed:year
2009
pubmed:articleTitle
Theoretical and REMPI spectroscopic study on phenylhydrazine and phenylhydrazine-(Ar)n (n=1, 2) van der Waals complexes.
pubmed:affiliation
The State Key Laboratory of Molecular Reaction Dynamics, Institute of Chemistry, Chinese Academy of Sciences, Beijing, 100190, PR China.
pubmed:publicationType
Journal Article, Research Support, Non-U.S. Gov't