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2642647456
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-; PMAH, 2-((N-(aminoethyl)amino)methyl)-4-(N′-(2-(4-imidazolyl)ethyl)carbamoyl)-5- bromopyrimidine; PY5, 2,6-(bis(2-pyridyl)methoxymethane)pyridine; TMC, 1,4,8,11 -tetramethyl-1,4,8,11-tetraazacyclotetradecane; trpn, 3,3′,3″-triaminotripropylamine.
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38
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Note that the Boltzmann factors for the ℬ-terms differ from that for the Script C sign-term because field-induced mixing is much greater for perpendicular fields; therefore, the Zeeman splitting will be governed by g⊥, which is very small for S = 2 systems (see ref 3).
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52
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2642677234
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-
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S = ±1 excited state.
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53
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2642640897
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These data have been refit from the original reference (ref 38) using the +ZFS model and the updated fitting results are shown here.
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2642680437
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2v is chosen as a low-symmetry point group in which all orbital degeneracy is lifted, but x and y transform as different irreducible representations.
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