Exploring the Isomer Dependent SERS Spectra of (diphenylphosphoryl)(pyridin-2, -3, and -4-yl)methanol Adsorbed on Gold Nanocolloids

Table 2

Wavenumbers, full band widths at half maximum, and proposed band assignments for FT-RS and SERS spectra of 𝛼-Pyr, 𝛽-Pyr, and 𝛾-Pyr adsorbed onto colloidal gold surface.

Mode	FT-RS		SERS Au colloid
	𝜈 [cm^−1]	FWHM [cm^−1]	𝜈 [cm^−1]	FWHM [cm^−1]
𝛼-Pyr
γ(CO) + ρ(CP=O) + ρ as(Phe) + δ oop(CC(P)C)	528	6	530	17
γ(CO) + ρ as(Phe)	548	7	552	14
ν 6a(Pyr) and/or ν 6b(Phe)	616	7	617	6
ρ as(Pyr) + δ(CpyrCO) + δ(CpyrCP)	651	7	—	—
ν 11(ρ as(Pyr)) and/or ν 6a(Phe; δ oop(CC(H)C))	689	6	695	17
ν 10b(ρ t(Pyr)) and/or ρ as(Phe) + ν(PCphe)	728	3	—	—
ν 10a(Phe; γ(CH))	841	9	—	—
ν 1(Pyr; δ oop(CC(H)C) + ν(CN) + δ trig(Pyr))	992	7	—	—
ν 12(Phe)	998	5	999	9
ν 18a(Phe)	1028	7	1028	9
ν 12(Pyr)	1046	11	—	—
ρ r(CC(H)C)pyr + ν(CC)pyr + ν(CO) + ν(PCphe)	1103	9	1102	11
ν(P=O) and/or δ(CH)	1164	6	1159	7
ν 9a(Phe; δ(CH)) and/or ν sym(CβCγH2Cδ)	1185	6	1183	18
ν 9a(Pyr) and/or ν 7a(Phe; phenyl-C stretch)	1215	7	—	—
ν 19b(Pyr/Phe)	1433	8	1435	8
ν 8b(Pyr/Phe)	1570	10	—	—
ν 8a(Pyr/Phe)	1588	10	1585	9
𝛽-Pyr
γ(CO) + ρ(CP=O) + ρ as(Phe) + δ oop(CC(P)C)	534	10	533	17
γ(CO) + ρ as(Phe)	554	7	546	14
ν 6a(Pyr) and/or ν 6b(Phe)	616	6	616	6
ρ as(Pyr) + δ(CpyrCO) + δ(CpyrCP)	654	7	—	—
ν 11(ρ as(Pyr)) and/or ν 6a(Phe; δ oop(CC(H)C))	698	8	695	11
ν 10b(ρ t(Pyr)) and/or ρ as(Phe) + ν(PCphe)	733	6	—	—
γ as(Pyr) + δ oop(CC(H)C)phe + δ oop(CCphe(P)C)	757	7	—	—
ν 10a(Phe; γ(CH))	853	12	—	—
ν 12(Phe)	1001	6	997	9
ν 18a(Phe)	1032	8	1026	9
ν 12(Pyr)	1041	7	—	—
ρ r(CC(H)C)pyr + ν(CC)pyr + ν(CO) + ν(PCphe)	1103	9	1102	10
ν(P=O) and/or δ(C–H)	1162	14	1157	9
ν 9a(Phe; δ(CH)) and/or ν sym(CβCγH2Cδ)	1189	19	1183	17
ν 9a(Pyr) and/or ν 7a(Phe; phenyl-C stretch)	1220	20	—	—
ν 19b(Pyr/Phe)	1434	8	1433	8
ν 8b(Pyr/Phe)	1573	8	—	—
ν 8a(Pyr/Phe)	1589	8	1584	14
𝛾-Pyr
γ(CO) + ρ(CP=O) + ρ as(Phe) + δ oop(CC(P)C)	528	4	531	14
γ(CO) + ρ as(Phe)	551	9	550	14
ν 6a(Pyr) and/or ν 6b(Phe)	615	5	616	5
ρ as(Pyr) + δ(CpyrCO) + δ(CpyrCP)	662	5	662	5
ν 11(ρ as(Pyr)) and/or ν 6a(Phe; δ oop(CC(H)C))	697	9	697	8
ν 10b(ρ t(Pyr)) and/or ρ as(Phe) + ν(PCphe)	725	9	—	—
γ as(Pyr) + δ oop(CC(H)C)phe + δ oop(CCphe(P)C)	759	5	—	—
ν 10a(Phe; γ(CH))	860	11	—	—
ν 1(Pyr; δ oop(CC(H)C) + ν(CN) + δ trig(Pyr))	991	6	—	—
ν 12(Phe)	1001	6	998	9
ν 18a(Phe)	1029	9	1026	10
ρ r(CC(H)C)pyr + ν(CC)pyr + ν(CO) + ν(PCphe)	1103	8	1102	11
ν(P=O) and/or δ(C–H)	1164	15	1158	16
ν 9a(Phe; δ(CH)) and/or ν sym(CβCγH2Cδ)	1199	12	1196	—
ν 9a(Pyr) and/or ν 7a(Phe; phenyl-C stretch)	1222	13	—	—
ν 19b(Pyr/Phe)	1436	5	1435	9
ν 8b(Pyr/Phe)	1573	8	1585	10
ν 8a(Pyr/Phe)	1592	11	1608	15