Charge transfer complexes of metal-free phthalocyanine radical anions with decamethylmetallocenium cations: (Cp*2Co+)(H2Pc˙−)·solvent and (Cp*2Cr+)(H2Pc˙−)·4C6H4Cl2
نویسندگان
چکیده
منابع مشابه
Erratum to: Long-range corrected DFT calculations of charge-transfer integrals in model metal-free phthalocyanine complexes
An assessment of several widely used exchange-correlation potentials in computing charge-transfer integrals is performed. In particular, we employ the recently proposed Coulomb-attenuated model which was proven by other authors to improve upon conventional functionals in the case of charge-transfer excitations. For further validation, two distinct approaches to compute the property in question ...
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ژورنال
عنوان ژورنال: Dalton Transactions
سال: 2017
ISSN: 1477-9226,1477-9234
DOI: 10.1039/c7dt00336f