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.
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 |
ν5/ν13/ν42 | 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 |