. 2021 Mar 31;125(14):3556–3565. doi: 10.1021/acs.jpcb.1c01199

Table 1. Wavenumbers (cm^–1) of the Most Prominent Raman Bands with Assignments and Local Coordinates for HbCN Adducts within RBCs and Isolated HbCN Protein^12,41−46^a.

		wavenumber/cm^–1
band	local coordinate	HbCN RBCs	HbCN-isolated Hb
ν₈		346_m	346_m
ν₅₀		354_sh	354_sh
COO^–	δ(C_βC_cC_d)	378_m	376_m
	δ(Fe–CN)	384_sh	384_sh
4-vinyl	δ(C_βC_aC_b)	406_w	406_w
2-vinyl	δ(C_βC_aC_b)	422_w	422_w
	ν(Fe–CN)	454_m	454_m
ν₇	δ(pyr def)_sym	678_s	678_s
ν₁₅	ν(pyr br)	767_m	767_m
ν₂₂	ν(pyr hr)_asym	1129_s	1129_s
ν₃₀	ν(pyr hr)_asym	1173_m	1174_m
ν₅/ν₁₃/ν₄₂	δ(C_mH)	1231_m	1230_m
ν₄	ν(pyr half-ring)sym	1378_vs	1378_vs
ν₂₈	ν(C_αC_m)_sym	1432_m	1432_m
ν₃	ν(C_αC_m)_sym	1509_s	1508_s
ν₁₁	ν(C_βC_β)	1552_m	1552_m
ν₂	ν(C_βC_β)	1588_s	1588_s
	ν(C=C)	1624_s	1624_s
ν₁₀	ν(C_αC_m)_asym	1644_m	1644_m
	ν₄ + ν(Fe–CN)	1825_vw	1825_vw
	ν(CN)	2123_vw	2123_vw

The mode notation is based on that proposed by Abe et al.(42) and Hu et al.(41) ν—stretching, δ—bending, def—deformation, br—breathing, hr—half-ring, qr—quarter-ring, as—asymmetric, sym—symmetric, pyr—pyrrole; vw—very weak; v—weak; m—medium; s—strong, vs—very strong; and sh—shoulder.

Table 1. Wavenumbers (cm–1) of the Most Prominent Raman Bands with Assignments and Local Coordinates for HbCN Adducts within RBCs and Isolated HbCN Protein12,41−46a.

Table 1. Wavenumbers (cm^–1) of the Most Prominent Raman Bands with Assignments and Local Coordinates for HbCN Adducts within RBCs and Isolated HbCN Protein^12,41−46^a.