Linked Life Data

19827799

Source:http://linkedlifedata.com/resource/pubmed/id/19827799

Statements in which the resource exists as a subject.
PredicateObject
rdf:type
lifeskim:mentions
pubmed:issue
52
pubmed:dateCreated
2009-12-23
pubmed:abstractText
We investigated the reaction dynamics of N-methylpyrrole (NMP) along the N-CH3 coordinate, upon excitation energies below 6.4 eV. Ours and previous experiments show clearly the existence of different reaction channels leading to slow and fast fragment production whose relative efficiency fluctuates with the changes in the excitation energy. Thanks to our modeling based on the differences of the NMP molecular orbitals (MOs) with respect to those of pyrrole we are able to show the existence of two low lying dissociative pi sigma(N-CH3)* states. Those states originate from the degeneracy removal in the pi MOs owing to their interaction with the sigma(CH) MO of the methyl group. This evidence and the calculated potential energy surfaces for dissociation along the N-CH3 coordinate provide the correct framework for the interpretation of the details in the NMP photodissociation dynamics.
pubmed:language
eng
pubmed:journal
pubmed:citationSubset
IM
pubmed:chemical
pubmed:status
MEDLINE
pubmed:month
Dec
pubmed:issn
1520-5215
pubmed:author
pubmed:issnType
Electronic
pubmed:day
31
pubmed:volume
113
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
14554-8
pubmed:meshHeading
pubmed:year
2009
pubmed:articleTitle
New insights on the photodissociation of N-methylpyrrole: the role of stereoelectronic effects.
pubmed:affiliation
European Laboratory for Non-linear Spectroscopy, Sesto Fiorentino (Firenze), Italy.
pubmed:publicationType
Journal Article, Research Support, Non-U.S. Gov't