Showing papers by "Tetsuro Kusamoto published in 2016"
TL;DR: A rational molecular design for open-shell molecules to enhance their luminescence efficiency was developed through introduction of fluorine atoms and coordination of gold(i) to PyBTM, a highly stable fluorescent radical containing a pyridyl moiety.
36 citations
TL;DR: Comparison of the optical and electrochemical properties of the radicals with the electronic structures calculated by density functional theory has indicated that the chemical modification decreased the energy level of the β-singly occupied molecular orbital, a key orbital in determining the Optical and electro chemical properties of such systems.
Abstract: The open-shell luminescent (3,5-dichloro-4-pyridyl)bis(2,4,6-trichlorophenyl)methyl (PyBTM) radical contains a nitrogen atom that behaves as a stimulus-responsive site. Chemical modification at this nitrogen atom, such as coordination of B(C6F5)3 or methylation, shifts the emission maximum to the low-energy region and increases the reduction potential. The emission colour may be regulated by the reversible Lewis acid–base reaction between B(C6F5)3 and PyBTM. Comparison of the optical and electrochemical properties of the radicals with the electronic structures calculated by density functional theory has indicated that the chemical modification decreased the energy level of the β-singly occupied molecular orbital, a key orbital in determining the optical and electrochemical properties of such systems.
25 citations
TL;DR: In this paper, a molecular heterospin system composed of high-spin MnII and (3,5-dichloro-4-pyridyl)bis(2,4,6-trichlorophenyl)methyl radical (PyBTM; S = 1/2) was developed.
Abstract: A novel molecular heterospin system composed of high-spin MnII (S = 5/2) and (3,5-dichloro-4-pyridyl)bis(2,4,6-trichlorophenyl)methyl radical (PyBTM; S = 1/2) was developed. The MnII ion formed distorted octahedral coordination geometry with two PyBTM radicals coordinated in the trans configuration. Magnetic studies disclosed an intramolecular antiferromagnetic exchange interaction between the spins on PyBTM and MnII with JR–Mn/kB of −9.7 K. The antiferromagnetic interaction was confirmed by broken-symmetry density functional theory calculations. This study reveals the definite intramolecular exchange interaction in the MnII–triarylmethyl radical system for the first time.
8 citations