Electronic confinement of organic molecules in confined spaces: A spectroscopic study of Zn(phen)[sub 2](NO[sub 3])[sub 2] loaded MCM-41

Zhang, Lei Z.; Cheng, Peng; Liao, Dai-Zheng
October 2002
Journal of Chemical Physics;10/1/2002, Vol. 117 Issue 13, p5959
Academic Journal
Steady-state and dynamic spectroscopic studies have been given in support of the electronic confinement of Zn(phen)[sub 2](NO[sub 3])[sub 2], 1 (phen = 1, 10-phenanthroline), within nanoporous MCM-41. The bathochromic shift of the 0-0 transitions, together with the shortening of the excited state lifetimes have been correlated with the reduction of the HOMO-LUMO band gap accompanying by the increased energies of the frontier orbitals. This trend indicates that the electronic confinement of organic molecules is indeed realized in larger cavities, such as nanocavities of MCM-41. The variations in the 0-0 transitions observed here have also been confirmed by theoretical calculations.


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