Photosynthetic Pigments with Potential for a Photosynthetic Antenna: A DFT Analysis

Table 3

Points obtained by each molecule according to the suitability of its electronic properties (EP).

EP	CHLB	CHLA	LUT	NEO	ZEA	BCRY	VIO	9NEO		S^3	CV^4
-^1	84.5	90.5	97.8	96.8	99.9	100.0	94.1	93.6	94.7^a	5.2	5.5%
^1	79.5	86.0	97.6	99.5	98.3	99.3	96.8	100.0	94.6^a	7.6	8.0%
^1	79.2	84.6	97.6	100.0	98.8	99.5	95.9	98.3	94.2^a	7.9	8.3%
CP	98.7	98.7	99.8	77.5	99.7	99.8	94.0	83.3	93.9^a	8.7	9.3%
^2	90.0	93.3	96.7	100.0	90.0	90.0	96.7	93.3	93.8^ab	3.8	4.0%
^2	93.5	100.0	93.5	96.8	87.1	87.1	90.3	90.3	92.3^abc	4.5	4.9%
EEP^2	100.0	92.5	90.5	96.4	91.1	89.3	89.3	86.6	92.0	4.3	4.7%
^1	76.8	79.6	96.2	100.0	98.7	98.7	92.1	92.7	91.9	8.9	9.7%
^2	93.9	100.0	87.9	90.9	87.9	87.9	87.9	87.9	90.5	4.4	4.9%
^2	100.0	94.5	85.0	83.5	84.5	83.6	85.5	82.9	87.4^d	6.3	7.2%
^2	100.0	91.9	85.6	85.4	86.3	84.8	83.9	79.4	87.2^de	6.2	7.1%
^2	100.0	91.4	85.8	85.9	86.8	85.0	83.5	78.8	87.1^def	6.3	7.2%
^2	100.0	91.6	85.7	85.6	86.6	84.9	83.7	79.0	87.1^defg	6.2	7.2%
HEP^2	100.0	95.7	82.5	79.0	81.4	80.7	84.4	81.9	85.7^defgh	7.7	9.0%
	92.6	92.2	91.6	91.2	91.2	90.8	89.9	87.7
	9.0	5.8	6.0	8.2	6.5	7.1	5.1	7.1
CV	9.7%	6.3%	6.6%	9.0%	7.1%	7.8%	5.7%	8.1%
C			0.0	-5.0	-5.2	-11.5	-24.2	-54.2
B	0.0	-5.6	-13.9	-18.9	-19.1	-25.4	-38.1	-68.1
A	1296.1	1290.5	1282.2	1277.2	1277.0	1270.7	1258.0	1228.0
D	100.0%	99.6%	98.9%	98.5%	98.5%	98.0%	97.1%	94.7%
E			0.0%	-0.4%	-0.4%	-0.9%	-1.9%	-4.2%

¹The lowest value is the most suitable; ²the highest value is the most suitable. A = dye total score; B = point difference between dyes and CHLB; C = point difference between xanthophylls and LUT; D = percentage difference between dyes and CHLB; E = percentage difference between xanthophylls and LUT. Different letters in rows show statistical difference among property means (). ³Standard deviation; ⁴coefficient of variation.