. Author manuscript; available in PMC: 2014 Sep 18.

Published in final edited form as: Appl Spectrosc. 2011 Sep;65(9):1029–1045. doi: 10.1366/11-06302

Table 3.

Frequencies of marker bands for groups changing protonation state, as labeled in Figs. 10 and 11.

	Frequency (cm⁻¹)	References
1. Asp85 COOH^§	1761 (in M)	²³
Asp85 COOH	1755 (in N and O)	^{30, 32–34}
2. Asp96 COOH	1740	^{23, 30, 33}
3. Glu (194/204) COOH	1700	^24–26
4. Arg82⁺	1660 (range 1652–1680)	^27–29
5. Arg82 (neutral)	1560 (range 1554–1566)	^27–29
6. SBH^%	1639 (in BR)	^{30, 31, 35}
SBH	1645 (in L and N)	^{24, 36}
SBH	1628 (in O)	^{30, 31}
7. SB^%	1620	^{30, 31}

SBH and SB designate the protonated and unprotonated Schiff base, respectively.

In Figures 10 and 11, the cyan line marked SBH is at 1643 cm⁻¹, which is an average for the protonated Schiff base frequency in BR, L, M, and N. The 1628 cm⁻¹ value for O is not separately marked.

⁺

1560 and 1660 cm⁻¹ are used as averaged estimates for the deprotonated and protonated Arg82, respectively.

^§

For the Asp-85 COOH group, line 1 is marked at 1761 cm⁻¹.