ABSTRACT
The binding of the laser dyes rhodamine B (RhB) and sulforhodamine B (kiton red S or KRS) to a cucurbit[7]uril (CB[7]) host has been investigated using density functional theory. Both guests (RhB and KRS) contain two N,N-diethylamino groups on a xanthene core. The lowest-energy structure of these host-guest complexes has one of the N,N-diethylamino groups encapsulated within the host cavity, that engenders C-H···O interactions with portals, while the remaining noninteracting diethylamino group resides outside the cavity. The (1)H NMR chemical shifts derived using the gauge-independent atomic orbital method are consistent with those observed in experiments.
Subject(s)
Bridged-Ring Compounds/chemistry , Fluorescent Dyes/chemistry , Imidazoles/chemistry , Rhodamines/chemistry , Computer Simulation , Hydrogen Bonding , Models, Molecular , Molecular Conformation , Quantum Theory , ThermodynamicsABSTRACT
The lasing and photostability characteristics of Rhodamine 6G and Pyrromethene 567 dyes dispersed in polymeric host materials have been investigated as a function of the intensities of incident pump and signal beams in a longitudinally pumped dye laser in an oscillator-amplifier configuration. A substantial reduction in the rate of photodegradation was observed under lasing conditions and with increasing signal intensity in a dye amplifier, establishing that the service lives of these materials improve with an increase in the rate of stimulated emission. We observed approximately 62% amplifier efficiency at 2 Hz operation and 10% reduction in amplifier efficiency at 10 Hz operation after exposure of 72,000 pulses by use of a Pyrromethene disk.
