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. 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 Protein12,4146a.

    wavenumber/cm–1
band local coordinate HbCN RBCs HbCN-isolated Hb
ν8   346m 346m
ν50   354sh 354sh
COO δ(CβCcCd) 378m 376m
  δ(Fe–CN) 384sh 384sh
4-vinyl δ(CβCaCb) 406w 406w
2-vinyl δ(CβCaCb) 422w 422w
  ν(Fe–CN) 454m 454m
ν7 δ(pyr def)sym 678s 678s
ν15 ν(pyr br) 767m 767m
ν22 ν(pyr hr)asym 1129s 1129s
ν30 ν(pyr hr)asym 1173m 1174m
ν51342 δ(CmH) 1231m 1230m
ν4 ν(pyr half-ring)sym 1378vs 1378vs
ν28 ν(CαCm)sym 1432m 1432m
ν3 ν(CαCm)sym 1509s 1508s
ν11 ν(CβCβ) 1552m 1552m
ν2 ν(CβCβ) 1588s 1588s
  ν(C=C) 1624s 1624s
ν10 ν(CαCm)asym 1644m 1644m
  ν4 + ν(Fe–CN) 1825vw 1825vw
  ν(CN) 2123vw 2123vw
a

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.