ALBERT — All Library Books, journals and Electronic Records Telegrafenberg

Hits per page

hits 1 - 2 | 2 hits

Sorting

Electronic Resource

Solvent relaxation effects on the kinetics of photoinduced electron transfer reactions (1991)

Najbar, J. ; Dorfman, R. C. ; Fayer, M. D.

College Park, Md. : American Institute of Physics (AIP)

The Journal of Chemical Physics 94 (1991), S. 1081-1092

add to mindlist on the mindlist

Details

ISSN: 1089-7690

Source: AIP Digital Archive

Topics: Physics , Chemistry and Pharmacology

Notes: The three-potential surface problem of electron transfer in solution is analyzed using Zusman-type kinetic equations. The model describes ultrafast formation and recombination of radical–ion pairs limited by solvent dielectric relaxation. The problem begins with a donor on an electronic excited state surface. The system evolves with crossing to the radical–ion pair surface (with the possibility of recrossing to the excited donor surface included). Solvent relaxation moves the system to lower energy on the radical–ion pair surface where crossing to the ground state neutral surface occurs (with the possibility of recrossing to the radical–ion surface included). Model calculations of the transient radical–ion pair populations are presented. The time dependent results that are presented show a dramatic dependence on the relative free energy differences (ΔG's) among the three potential surfaces. Comparisons to other formalisms and to less detailed approximations are made. The mean populations of the transient species for a system of a donor and many acceptors in the absence of spatial diffusion are also derived.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1063/1.460064

Permalink

	Location	Call Number	Expected	Availability

Others were also interested in ...

Paper (German National Licenses)

Fulltext

Electronic Resource

The LIF Excitation Spectrum of Jet-Cooled 2,6-Dicyano-3, 5-Dimethylaniline (1999)

Kolek, P. ; Gajdek, P. ; Motylewski, T. ; [et al.]

Springer

Journal of fluorescence 9 (1999), S. 123-132

add to mindlist on the mindlist

Details

ISSN: 1573-4994

Keywords: LIF excitation spectrum ; supersonic jet ; ab initio geometries ; Dushinsky effect ; intramolecular hydrogen bonding

Source: Springer Online Journal Archives 1860-2000

Topics: Physics

Notes: Abstract The laser-induced fluorescence (LIF) excitation spectrum of jet-cooled 2, 6-dicyano-3,5-dimethylaniline (DCDMA) has been measured in the spectral range of 29,750–32,250cm−1. The band origin at 29,860.8 cm−1 and as many as 250 vibrational bands have been identified in the excitation spectrum. The analysis of the excitation spectrum of DCDMA gives more than 28 vibrational modes involving aromatic ring oscillations and oscillations related to the substituent groups. DCDMA is nonplanar in the ground state, with the NH2 plane at about 9° with respect to the molecular plane (RHF/6-31G*). The singlet excited molecule is planar (CIS/6-31G*). Both CIS/6-31G* and CASPT2 calculations predict that the lowest excited state of DCDMA involves a dominant HOMO-LUMO excited configuration. The characteristic feature of the excitation spectrum of DCDMA is the presence of progressions in the low-frequency mode, 112 cm−1. The calculations suggest that this mode and some other active modes involve motions of the amino group and strongly interacting adjacent cyano substituents.