• Spectroscopy and Spectral Analysis
  • Vol. 42, Issue 3, 704 (2022)
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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    DOI: 10.3964/j.issn.1000-0593(2022)03-0704-09 Cite this Article
    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 Copy Citation Text show less
    The calculated and experimental Raman spectra of PCBs
    Fig. 1. The calculated and experimental Raman spectra of PCBs
    The calculated and experimental SERS spectra of PCBs(a): PCB15; (b): PCB28; (c): PCB47; (d): PCB77
    Fig. 2. The calculated and experimental SERS spectra of PCBs
    (a): PCB15; (b): PCB28; (c): PCB47; (d): PCB77
    Adsorption configuration of PCBs on gold surface(a): PCB15; (b): PCB28; (c): PCB47; (d): PCB77
    Fig. 3. Adsorption configuration of PCBs on gold surface
    (a): PCB15; (b): PCB28; (c): PCB47; (d): PCB77
    Typical SERS spectra of PCBs solution with different concentration(a): PCB15; (b): PCB28; (c): PCB47; (d): PCB77
    Fig. 4. Typical SERS spectra of PCBs solution with different concentration
    (a): PCB15; (b): PCB28; (c): PCB47; (d): PCB77
    The relationship between Raman intensity and PCBs solution concentration(a): PCB15; (b): PCB28; (c): PCB47; (d): PCB77
    Fig. 5. The relationship between Raman intensity and PCBs solution concentration
    (a): PCB15; (b): PCB28; (c): PCB47; (d): PCB77
    PCBsCalc. NR
    /cm-1
    Exp. NR
    /cm-1
    Calc. SERS
    /cm-1
    Exp. SERS
    /cm-1
    Assignment/%
    PCB15764767m762764mνC—C, νC—Cl (82)
    1 003999w9981 005mδCCC (63), νC—H (15)
    1 0841 087w1 0861 087mδCCC (45), νC—H (13)
    1 1801 169w1 173-νC—H (53), νC—C (16)
    1 2761 283s1 2681 270mνbridge bond (47), νring (14)
    1 6021 594s1 5781 579sνring (41)
    PCB28404400m401400wγHCCC (17), τring (50)
    565554w555-γHCCC (21), τring (58)
    818817m831829sνC—Cl (61)
    9991 002w993990mδCCC (55)
    1 0841 073w1 068-δHCC (21), νC—C (50)
    1 0911 093w1 0921 093mνC—C(46), νC—Cl(12), δHCC (16)
    1 1421 145w1 1431 145wνC—C (12), δHCC (53)
    1 1851 182w--δHCC (73)
    1 2431 238w1 2341 241wδHCC (54)
    1 2861 288s1 2621 264wνbridge bond (44), δHCC (15)
    --1 3171 319mνC—C (14), δHCC (14)
    1 3761 373w1 3691 374mνC—C (23), δHCC (27)
    1 5011 496w1 4761 464wδHCC (46)
    1 5911 596s1 5711 569sνring (61)
    1 602---νring (54)
    PCB47392400s400-νC—Cl (27), δCCCl (29)
    426434m432-νC—Cl (11), τring (42)
    488481m492508wγHCCC (10), γCCCCl (45)
    667662w672674wνC—Cl (14), δCCC (55)
    681684s692691wνC—Cl (12), δCCC (57)
    818829m848848sδHCC (85)
    9971 002w1 008990mring breathing (57)
    1 1001 102s1 0921 102sνC—C (39), δHCC (22)
    1 1481 140m1 1561 145wδHCC (58)
    1 2441 242m1 2601 258wνbridge bond (23), δHCC (44)
    1 2991 289s1 3031 319mνbridge bond (15), δHCC (37)
    1 3881 360w1 377-νC—C (41), δHCC (29)
    1 4981 491m1 478-νC—Cl (10), δHCC (47)
    1 5671 559w1 5481 558sνC—C (69)
    1 6081 594s1 5911 581sνring (60)
    PCB77450437s446434wνC—Cl (12), δCCCl (21), τring (30)
    559560m566-νC—Cl (62), δCCC (11)
    675672s664678wνC—Cl (17), δCCC (54)
    859859w840854wνC—Cl (32), δCCC (44)
    1 0161 028s1 0161 020mring breathing (78)
    1 1251 135w1 1291 136mνC—C (50), δHCC (17)
    1 2471 243s1 2421 255mδHCC (59)
    1 2891 295s1 3041 283mνbridge bond (18), δHCC (21)
    1 4861 489w1 480-δHCC (34)
    1 5951 594s1 5671 576sνring (44)
    Table 1. Calculated, experimental normal Raman of PCBs and PCBs-Au vibrational frequencies and vibration assignment
    物质吸附前二
    面角/(°)
    吸附后二
    面角/(°)
    二面角变化
    值/(°)
    PCB1539.9637.652.31
    PCB2857.5753.294.28
    PCB4798.0675.6822.38
    PCB7739.7937.811.98
    Table 2. The dihedral Angle of benzene ring before and after adsorption of PCBs and the corresponding changes
    物质标准浓度/
    (nmol·L-1)
    测定浓度/
    (nmol·L-1)
    回收率/
    %
    PCB151.5
    6.0
    12.0
    25.0
    1.36
    5.73
    12.19
    25.11
    91.3
    95.5
    101.6
    100.4
    PCB283.0
    6.0
    12.0
    30.0
    2.64
    6.48
    12.02
    30.09
    87.9
    107.9
    100.2
    100.3
    PCB476.0
    12.0
    18.0
    45.0
    5.65
    12.20
    17.94
    44.95
    94.2
    101.7
    99.7
    99.9
    PCB776.0
    10.0
    14.0
    40.0
    5.72
    10.30
    13.47
    40.58
    95.3
    103.0
    96.2
    101.5
    Table 3. Test values of labeled recovery test of PCBs
    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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