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. Author manuscript; available in PMC: 2017 Apr 25.
Published in final edited form as: Chemistry. 2016 Mar 21;22(18):6323–6332. doi: 10.1002/chem.201505155

Table 1.

Observed Frequencies from Oriented Single-Crystal NRVS Spectra and X-ray Structures at 100K.

Complex Fe-XO stretch/v50a FeXO benda,b FeXOc Fe–XOd Fe–Npd Fe–N(Im)d Ref.
[Fe(TPP)(1-MeIm)(NO)] 472, 437 566 137.2e 1.749 2.007 2.170 52
mono-[Fe(TpFPP)(1-MeIm)(NO)] 473, 439, 426 561 137.3f 1.748 2.002 2.131 tw
tri-[Fe(TpFPP)(1-MeIm)(NO)] 466, 432 560 138.6f 1.752 2.011 2.169 tw
[Fe(TpOCH3PP)(1-MeIm)(NO)] 455, 421 557 136.2f 1.753 2.010 2.170 tw
MbNOg 452 558 – – – – 81
[Fe(OEP)(2-MeHIm)(NO)]ClO4 600 574/580 176.6 1.641 1.997 2.028 63
[Fe(OEP)(1-MeIm)(CO)] 499/513 582/575 175.7h 1.773 2.010 2.054 83
[Fe(TPP)(1-MeIm)(CO)] 507 561/586 177.0i 1.760 2.005 2.050 83
[Fe(TpivPP)(1-EtIm)(O2)] 417, 393 571 126.6j 1.798 1.990 2.043 50
[Fe(TpivPP)(2-MeHIm)(O2)] 419, 389 563 129.9j 1.804 1.995 2.088 50
a

Value in cm−1.

b

Strong mixing with the Fe–XO stretch in the nonlinear species.

c

Angle in degrees.

d

Distance in Å.

e

Structural data from Ref. 42.

f

Structural data from Ref. 41.

g

myoglobin nitrosyl.

h

Silvernail, et al., in preparation.

i

Structural data from Ref. 82.

j

Structural data from Ref. 84.