Nitrogen NMR Spectroscopy of Metal Nitrosyls and Related Compounds

On the Electronic Structure ofmer,trans‐[RuCl3(1H‐indazole)2(NO)], a Hypothetical Metabolite of the Antitumor Drug Candidate KP1019: An Experimental and DFT Study

“…The nitrogen chemical shifts due to the bent coordination of NO -to ruthenium(II) documented in the literature are downshifted by several hundred ppm. [48] The linear coordination of NO + or NO 0 to ruthenium in 1 is further supported by the results of the X-ray diffraction study shown in Figure 1 The ruthenium coordination environment can be described as a slightly distorted octahedron with a Ru-Cl1 bond length (trans to the nitrosyl group) of 2.3418(8) Å, being significantly shorter than the Ru-Cl2 bond of 2.3664(6) Å. These features, as well as the Ru-N3 bond length of 1.742(3) Å, are in good agreement with those observed in Na 2 [RuCl 5 [44] and other related structures.…”

14N NMR and Two‐Dimensional Suspension 1H and 13C HRMAS NMR Spectroscopy of Ionic Liquids Immobilized on Silica

“…Owing to the quadrupolar nature of the 14 N nucleus, in addition to the chemical shifts, numbers, and intensities of signals, the linewidths provide information on the whole system. As outlined in reference [21], the linewidth, which is determined by structural and motional factors, is given by Equation (1), where Dn1 = 2 is the 14 N linewidth, T q = T 2 = T 1 for mobile species in the extreme narrowing limit, t q is the effective rotational correlation time of the nuclear quadrupole, c = e 2 qQ/h describes the nuclear quadrupolar coupling constant, where eq is the electric field gradient, and h = (q x Àq y )/q z is the asymmetry parameter with values between 0 and 1.…”

“…14 N NMR spectroscopy is comparatively easy to accomplish. [21] It has a high natural abundance of 99.635 % and a receptivity of 5.69 relative to that of 13 C, while the nuclear quadrupole moment Q of this spin-1 nucleus is rather small (0.0199 10 À28 m 2 ). [21] Hence, unlike, for example, 61 Ni, [26] no special probehead is needed for the 14 N measurement and any conventional liquids NMR spectrometer equipped with a multinuclear probehead can be used.…”

“…[21] It has a high natural abundance of 99.635 % and a receptivity of 5.69 relative to that of 13 C, while the nuclear quadrupole moment Q of this spin-1 nucleus is rather small (0.0199 10 À28 m 2 ). [21] Hence, unlike, for example, 61 Ni, [26] no special probehead is needed for the 14 N measurement and any conventional liquids NMR spectrometer equipped with a multinuclear probehead can be used. One can pulse quickly with 200 ms relaxation delays (relaxation of the electronics actually seems to be the limiting factor) and spectra of neat organic liquids, such as the solvents CH 3 NO 2 , CH 3 CN, or pyridine, can be obtained within a few minutes.…”

“…[3][4][5] For catalysts immobilized via phosphine linkers we recently optimized the cross-polarization (CP) process at high magic-angle-spinning (MAS) frequencies [19] to obtain better signal-to-noise ratios (S/N) and implemented stationary [20a] and suspension HRMAS NMR spectroscopy [20b] to study the mobility of surface species as well as their reactivity with oxidic surfaces and their structural nature. 14 N NMR spectroscopy [21] has been applied in many very different research areas. In some recent work, for example, it served to characterize metal complexes [22] and main group…”