Solvation of the 2,5-lutidyl radical in small van der Waals clusters

Citation
Ja. Bray et Er. Bernstein, Solvation of the 2,5-lutidyl radical in small van der Waals clusters, J PHYS CH A, 103(14), 1999, pp. 2214-2219
Citations number
47
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF PHYSICAL CHEMISTRY A
ISSN journal
10895639 → ACNP
Volume
103
Issue
14
Year of publication
1999
Pages
2214 - 2219
Database
ISI
SICI code
1089-5639(19990408)103:14<2214:SOT2RI>2.0.ZU;2-1
Abstract
The one-to-one clusters of the 2,5-lutidyl radical [2-CH3,5-(CH2)C5H3N] wit h Ar, N-2, CH4, CF4, C2H6, C3H8, C4H10, and C2H4 are studied by fluorescenc e excitation spectroscopy, mass resolved excitation spectroscopy, and ab in itio and semiempirical calculational techniques. Cluster binding energies f or the ground (D-0) and excited (D-1) states, cluster spectroscopic shifts, and van der Waals cluster vibrational modes are reported for these systems . The agreement between the observed and calculated cluster properties is q uite good. Unlike the benzyl radical, the 2,5-lutidyl radical does not reac t with ethylene in its D-1 excited electronic state.