Self-assembly
of an environmentally friendly non-lanthanide barium-based
metal–organic framework {[Ba(2,6-ndc)(H2O)2]·H2O} (1, 2,6-ndc = 2,6-naphthalenedicarboxylate)
(Ba-MOF) is reported. The complex displays an intrinsic broad-band
white light emission with a Commission International de I’Eclairage
(CIE) index of (0.32, 0.33), and a corresponding yield of about 75%,
when excited at a wavelength of 374 nm. The continuous broad band
can be attributed to the inherent nature of Ba-MOF (1), i.e., interligand (π–π*) and ligand–metal
charge transfer mechanisms, resulting in a white light emission. Moreover,
a device is fabricated using a nanometer-scale thin film of Ba-MOF
(1) as an active material and the resulting device exhibits
a white electroluminescence spectrum. In comparison with the traditional
two-component light-emitting diodes (LEDs), this MOF-based white light
LED system has significant advantages such as its ability to function
as a phosphor-free, single-component broad-band emitter, high stability,
low cost, and minimal environmental footprints. Density functional
theory (DFT) calculations are carried out to better comprehend the
origin of this white light emission from 1. This Ba-MOF-based
white light emitter has the potential for being an environmentally
friendly and low-cost source for white light solid-state applications.