Adsorption Characteristics of Marine Contaminant Polychlorinated Biphenyls Based on Surface-Enhanced Raman Spectroscopy

Hong-yan SONG; Hang ZHAO; Xia YAN; Xiao-feng SHI; Jun MA

doi:10.3964/j.issn.1000-0593(2022)03-0704-09

Spectroscopy and Spectral Analysis, Volume. 42, Issue 3, 704(2022)

Adsorption Characteristics of Marine Contaminant Polychlorinated Biphenyls Based on Surface-Enhanced Raman Spectroscopy

Hong-yan SONG^*, Hang ZHAO, Xia YAN, Xiao-feng SHI, and Jun MA^*;

Author Affiliations

Optics & Optoelectronics Laboratory, Ocean University of China, Qingdao 266100, China

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Figures & Tables(8)

Fig. 1. The calculated and experimental Raman spectra of PCBs

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Fig. 2. The calculated and experimental SERS spectra of PCBs
(a): PCB15; (b): PCB28; (c): PCB47; (d): PCB77

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Fig. 3. Adsorption configuration of PCBs on gold surface
(a): PCB15; (b): PCB28; (c): PCB47; (d): PCB77

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Fig. 4. Typical SERS spectra of PCBs solution with different concentration
(a): PCB15; (b): PCB28; (c): PCB47; (d): PCB77

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Fig. 5. The relationship between Raman intensity and PCBs solution concentration
(a): PCB15; (b): PCB28; (c): PCB47; (d): PCB77

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Table 1. Calculated, experimental normal Raman of PCBs and PCBs-Au vibrational frequencies and vibration assignment

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Table 1. Calculated, experimental normal Raman of PCBs and PCBs-Au vibrational frequencies and vibration assignment

PCBs	Calc. NR /cm^-1		Exp. NR /cm^-1		Calc. SERS /cm^-1		Exp. SERS /cm^-1		Assignment/%
PCB15	764		767^m		762		764^m		νC—C, νC—Cl (82)
	1 003		999^w		998		1 005^m		δCCC (63), νC—H (15)
	1 084		1 087^w		1 086		1 087^m		δCCC (45), νC—H (13)
	1 180		1 169^w		1 173		-		νC—H (53), νC—C (16)
	1 276		1 283^s		1 268		1 270^m		νbridge bond (47), νring (14)
	1 602		1 594^s		1 578		1 579^s		νring (41)
PCB28	404		400^m		401		400^w		γHCCC (17), τring (50)
	565		554^w		555		-		γHCCC (21), τring (58)
	818		817^m		831		829^s		νC—Cl (61)
	999		1 002^w		993		990^m		δCCC (55)
	1 084		1 073^w		1 068		-		δHCC (21), νC—C (50)
	1 091		1 093^w		1 092		1 093^m		νC—C(46), νC—Cl(12), δHCC (16)
	1 142		1 145^w		1 143		1 145^w		νC—C (12), δHCC (53)
	1 185		1 182^w		-		-		δHCC (73)
	1 243		1 238^w		1 234		1 241^w		δHCC (54)
	1 286		1 288^s		1 262		1 264^w		νbridge bond (44), δHCC (15)
	-		-		1 317		1 319^m		νC—C (14), δHCC (14)
	1 376		1 373^w		1 369		1 374^m		νC—C (23), δHCC (27)
	1 501		1 496^w		1 476		1 464^w		δHCC (46)
	1 591		1 596^s		1 571		1 569^s		νring (61)
	1 602		-		-		-		νring (54)
PCB47	392		400^s		400		-		νC—Cl (27), δCCCl (29)
	426		434^m		432		-		νC—Cl (11), τring (42)
	488		481^m		492		508^w		γHCCC (10), γCCCCl (45)
	667		662^w		672		674^w		νC—Cl (14), δCCC (55)
	681		684^s		692		691^w		νC—Cl (12), δCCC (57)
	818		829^m		848		848^s		δHCC (85)
	997		1 002^w		1 008		990^m		ring breathing (57)
	1 100		1 102^s		1 092		1 102^s		νC—C (39), δHCC (22)
	1 148		1 140^m		1 156		1 145^w		δHCC (58)
	1 244		1 242^m		1 260		1 258^w		νbridge bond (23), δHCC (44)
	1 299		1 289^s		1 303		1 319^m		νbridge bond (15), δHCC (37)
	1 388		1 360^w		1 377		-		νC—C (41), δHCC (29)
	1 498		1 491^m		1 478		-		νC—Cl (10), δHCC (47)
		1 567		1 559^w		1 548		1 558^s		νC—C (69)
		1 608		1 594^s		1 591		1 581^s		νring (60)
PCB77		450		437^s		446		434^w		νC—Cl (12), δCCCl (21), τring (30)
		559		560^m		566		-		νC—Cl (62), δCCC (11)
		675		672^s		664		678^w		νC—Cl (17), δCCC (54)
		859		859^w		840		854^w		νC—Cl (32), δCCC (44)
		1 016		1 028^s		1 016		1 020^m		ring breathing (78)
		1 125		1 135^w		1 129		1 136^m		νC—C (50), δHCC (17)
		1 247		1 243^s		1 242		1 255^m		δHCC (59)
		1 289		1 295^s		1 304		1 283^m		νbridge bond (18), δHCC (21)
		1 486		1 489^w		1 480		-		δHCC (34)
		1 595		1 594^s		1 567		1 576^s		νring (44)

Table 2. The dihedral Angle of benzene ring before and after adsorption of PCBs and the corresponding changes
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Table 2. The dihedral Angle of benzene ring before and after adsorption of PCBs and the corresponding changes
物质吸附前二
面角/(°) 吸附后二
面角/(°) 二面角变化
值/(°)
PCB15 39.96 37.65 2.31
PCB28 57.57 53.29 4.28
PCB47 98.06 75.68 22.38
PCB77 39.79 37.81 1.98

Table 3. Test values of labeled recovery test of PCBs

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Table 3. Test values of labeled recovery test of PCBs

物质	标准浓度/ (nmol·L^-1)	测定浓度/ (nmol·L^-1)	回收率/ %
PCB15	1.5 6.0 12.0 25.0	1.36 5.73 12.19 25.11	91.3 95.5 101.6 100.4
PCB28	3.0 6.0 12.0 30.0	2.64 6.48 12.02 30.09	87.9 107.9 100.2 100.3
PCB47	6.0 12.0 18.0 45.0	5.65 12.20 17.94 44.95	94.2 101.7 99.7 99.9
PCB77	6.0 10.0 14.0 40.0	5.72 10.30 13.47 40.58	95.3 103.0 96.2 101.5

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Hong-yan SONG, Hang ZHAO, Xia YAN, Xiao-feng SHI, Jun MA. Adsorption Characteristics of Marine Contaminant Polychlorinated Biphenyls Based on Surface-Enhanced Raman Spectroscopy[J]. Spectroscopy and Spectral Analysis, 2022, 42(3): 704

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Paper Information

Category: Research Articles

Received: Feb. 21, 2021

Accepted: May. 6, 2021

Published Online: Apr. 19, 2022

The Author Email: SONG Hong-yan (hongyansong590@163.com)

DOI:10.3964/j.issn.1000-0593(2022)03-0704-09

Topics

laser devices and laser physics

Lasers and Laser Optics

Laser physics

laser manufacturing

Instrumentation, Measurement and Metrology

Table 1. Calculated, experimental normal Raman of PCBs and PCBs-Au vibrational frequencies and vibration assignment

Table 1. Calculated, experimental normal Raman of PCBs and PCBs-Au vibrational frequencies and vibration assignment

Table 2. The dihedral Angle of benzene ring before and after adsorption of PCBs and the corresponding changes

Table 2. The dihedral Angle of benzene ring before and after adsorption of PCBs and the corresponding changes

Table 3. Test values of labeled recovery test of PCBs

Table 3. Test values of labeled recovery test of PCBs