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. 2014 Aug 19;136(35):12323–12336. doi: 10.1021/ja505403j

Figure 7.

Figure 7

Q-band 2D Davies pulsed 14,15N ENDOR 2D field-frequency patterns for 1(14,15N-nitride). Right: 15N ENDOR species (black), simulations (red). Simulation parameters: A(15N) = [12.8, 9.6, 1.0] MHz, coaxial with g; ENDOR line width 0.25 MHz; EPR line width, 500 MHz. Left: 14N ENDOR spectra (black), simulations (blue). Simulation parameters: g = [2.30, 1.98, 1.98]; A(14N) = −[9.1, 6.84, 0.71] MHz, P = 0 MHz; with A coaxial to g; line widths as with 15N. (‡) indicates the 1H line excited by the 5th rf harmonic. Inset: Simulation for 14N spectrum with increasing quadrupole coupling, P1/MHz (P2 = P3 = −P1/2) overlaid on v+(14N) feature at g∥ = 2.30. Far right: ESE-EPR spectra of 50% 15N labeled FeV nitride complex as described in Figure 2. (*) indicates ENDOR field positions. Conditions: microwave freq, 34.96 GHz; π pulse length = 200 ns; τ = 600 ns; repetition rate, 20 ms; Trf = 30 μs; rf randomly hopped.