Carbon disulfide

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Gas phase ion energetics data

Go To: Top, Ion clustering data, Mass spectrum (electron ionization), Gas Chromatography, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias

Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess

View reactions leading to CS2+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)10.073 ± 0.005eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)163.0kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity157.2kcal/molN/AHunter and Lias, 1998HL

Electron affinity determinations

EA (eV) Method Reference Comment
0.5525 ± 0.0013N/ACavanagh, Gibson, et al., 2012poor Franck-Condon overlap makes previous LPES studies too bound; B
0.580 ± 0.050LPESMisaizu, Tsunoyama, et al., 2004Vertical Detachment Energy: 1.27±0.10 eV; B
0.51 ± 0.10IMREChowdhury, Heinis, et al., 1986ΔGea(423 K) = -12.7 kcal/mol; ΔSea (estimated) = +2.0 eu.; B
<0.799982LPESScheidt and Weinkauf, 1997B
0.000694N/ACompton, Dunning, et al., 1996Quadrupole-bound state; B
0.60 ± 0.10ECDChen and Wentworth, 1983B
0.50 ± 0.20EndoHughes, Lifschitz, et al., 1973B
1.460 ± 0.020LPESTsukuda, Hirose, et al., 1997EA given is Vertical Detachment Energy. Poor Franck-Condon overlap; B
0.89 ± 0.20LPESOakes and Ellison, 1986The discrepancy with equilibrium has not been resolved. Poor Franck-Condon overlap.; B
1.00 ± 0.20NBIECompton, Reinhardt, et al., 1975B
0.94 ± 0.32IMRBKraus, Muller-Duysing, et al., 1961Between NH2-, C-; B

Ionization energy determinations

IE (eV) Method Reference Comment
10.078TEFischer, Lochschmidt, et al., 1993LL
10.080 ± 0.002PEWang, Reutt, et al., 1988LL
10.077PEReineck, Wannberg, et al., 1984LBLHLM
10. ± 1.EICarnovale, Hitchcock, et al., 1982LBLHLM
10.06PEKimura, Katsumata, et al., 1981LLK
10.079 ± 0.003PEPotts and Fattahallah, 1980LLK
10.0685 ± 0.0020SOno, Linn, et al., 1980LLK
10.05 ± 0.08EIMiletic, Eres, et al., 1980LLK
10.06 ± 0.025EIHubin-Franskin, Marmet, et al., 1980LLK
10.074PEHubin-Franskin, Delwiche, et al., 1980LLK
10.125PITrott, Blais, et al., 1979LLK
10.076 ± 0.005PICoppens, Reynaert, et al., 1979LLK
10.077PIFrey, Gotchev, et al., 1978LLK
10.074 ± 0.005PIDrowart, Smets, et al., 1978LLK
10.1 ± 0.1EIHildenbrand, 1975LLK
10.06PENatalis, 1973LLK
10.06 ± 0.01PEFrost, Lee, et al., 1973LLK
10.06PEKroto and Suffolk, 1972LLK
10.07 ± 0.10EIHildenbrand, 1972LLK
10.068 ± 0.005PEBrundle and Turner, 1969RDSH
10.122 ± 0.005PEBrundle and Turner, 1969RDSH
10.13PIMomigny and Delwiche, 1968RDSH
10.075PIMomigny and Delwiche, 1968RDSH
10.08 ± 0.01PEEland and Danby, 1968RDSH
10.14 ± 0.01PEEland and Danby, 1968RDSH
10.059 ± 0.008PIDibeler and Walker, 1967RDSH
10.112 ± 0.008PIDibeler and Walker, 1967RDSH
10.080STanaka, Jursa, et al., 1960RDSH
10.134STanaka, Jursa, et al., 1960RDSH
10.079SPrice and Simpson, 1938RDSH
10.133SPrice and Simpson, 1938RDSH
10.09PESchweig and Thiel, 1974Vertical value; LLK
10.10PEPotts and Williams, 1974Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C+10. ± 1.?EICarnovale, Hitchcock, et al., 1982LBLHLM
C+20.0 ± 0.1S2EIFerreira and Fronteira_e_Silva, 1970RDSH
C+19.9 ± 0.6S2EICuthbert, Farren, et al., 1968RDSH
C+24.0 ± 0.52SEICuthbert, Farren, et al., 1968RDSH
CS+16. ± 1.SEICarnovale, Hitchcock, et al., 1982LBLHLM
CS+14.10 ± 0.08SEIMiletic, Eres, et al., 1980LLK
CS+15.75 ± 0.02SPICoppens, Reynaert, et al., 1979LLK
CS+15.94 ± 0.07SEIHubin-Franskin, Huard, et al., 1978LLK
CS+13.9 ± 0.1S(-)EIHubin-Franskin, Huard, et al., 1978LLK
CS+15.75 ± 0.02SPIDrowart, Smets, et al., 1978LLK
CS+13.64 ± 0.02S(-)PIDrowart, Smets, et al., 1978LLK
CS+14.5S(-)EIHubin-Franskin, Locht, et al., 1976LLK
CS+14.7SEIHubin-Franskin, Locht, et al., 1976LLK
CS+16. ± 1.SEIMomigny, Mathieu, et al., 1973LLK
CS+16.15 ± 0.10SEIMomigny and Delwiche, 1968RDSH
CS+9.6 ± 0.6SEICuthbert, Farren, et al., 1968RDSH
CS+16.16 ± 0.01SPIDibeler and Walker, 1967RDSH
S+15. ± 1.CSEICarnovale, Hitchcock, et al., 1982LBLHLM
S+13.40 ± 0.08CSEIMiletic, Eres, et al., 1980LLK
S+14.80 ± 0.02CSPICoppens, Reynaert, et al., 1979LLK
S+14.88 ± 0.05CSEIHubin-Franskin, Huard, et al., 1978LLK
S+14.80 ± 0.02CSPIDrowart, Smets, et al., 1978LLK
S+13.35CSEIHubin-Franskin, Locht, et al., 1976LLK
S+15. ± 1.CSEIMomigny, Mathieu, et al., 1973LLK
S+17. ± 1.CSEIMomigny, Mathieu, et al., 1973LLK
S+14.8CSPIDibeler and Walker, 1967RDSH
S2+17. ± 1.CEICarnovale, Hitchcock, et al., 1982LBLHLM
S2+16.82 ± 0.02CPICoppens, Reynaert, et al., 1979LLK
S2+16.88 ± 0.02CPIDrowart, Smets, et al., 1978LLK
S2+14.9 ± 0.3CEIFerreira and Fronteira_e_Silva, 1970RDSH
S2+18.2 ± 0.9CEICuthbert, Farren, et al., 1968RDSH
S2+9.6 ± 0.6CEICuthbert, Farren, et al., 1968RDSH

Ion clustering data

Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
RCD - Robert C. Dunbar

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

Bromine anion + Carbon disulfide = (Bromine anion • Carbon disulfide)

By formula: Br- + CS2 = (Br- • CS2)

Quantity Value Units Method Reference Comment
Δr8.30 ± 0.20kcal/molTDAsHiraoka, Fujimaki, et al., 1993gas phase; B,M
Quantity Value Units Method Reference Comment
Δr13.0cal/mol*KPHPMSHiraoka, Fujimaki, et al., 1993gas phase; M
Quantity Value Units Method Reference Comment
Δr4.4 ± 1.0kcal/molTDAsHiraoka, Fujimaki, et al., 1993gas phase; B

(Bromine anion • Carbon disulfide) + Carbon disulfide = (Bromine anion • 2Carbon disulfide)

By formula: (Br- • CS2) + CS2 = (Br- • 2CS2)

Quantity Value Units Method Reference Comment
Δr7.30 ± 0.20kcal/molTDAsHiraoka, Fujimaki, et al., 1993gas phase; B,M
Quantity Value Units Method Reference Comment
Δr20.4cal/mol*KPHPMSHiraoka, Fujimaki, et al., 1993gas phase; M
Quantity Value Units Method Reference Comment
Δr1.2 ± 1.0kcal/molTDAsHiraoka, Fujimaki, et al., 1993gas phase; B

CHS2+ + Carbon disulfide = (CHS2+ • Carbon disulfide)

By formula: CHS2+ + CS2 = (CHS2+ • CS2)

Quantity Value Units Method Reference Comment
Δr9.0kcal/molPHPMSHiraoka, Fujimaki, et al., 1993, 2gas phase; M
Δr11.1kcal/molPHPMSMeot-Ner (Mautner) and Field, 1977gas phase; M
Quantity Value Units Method Reference Comment
Δr14.5cal/mol*KPHPMSHiraoka, Fujimaki, et al., 1993, 2gas phase; M
Δr26.4cal/mol*KPHPMSMeot-Ner (Mautner) and Field, 1977gas phase; M

(CHS2+ • Carbon disulfide) + Carbon disulfide = (CHS2+ • 2Carbon disulfide)

By formula: (CHS2+ • CS2) + CS2 = (CHS2+ • 2CS2)

Quantity Value Units Method Reference Comment
Δr4.7kcal/molPHPMSHiraoka, Fujimaki, et al., 1993, 2gas phase; M
Quantity Value Units Method Reference Comment
Δr14.3cal/mol*KPHPMSHiraoka, Fujimaki, et al., 1993, 2gas phase; M

Methyl cation + Carbon disulfide = (Methyl cation • Carbon disulfide)

By formula: CH3+ + CS2 = (CH3+ • CS2)

Quantity Value Units Method Reference Comment
Δr60.2kcal/molPHPMSMcMahon, Heinis, et al., 1988gas phase; switching reaction(CH3+)N2, Entropy change calculated or estimated, uses MCA(N2) = 48.3 kcal/mol; Foster, Williamson, et al., 1974; M

CS+ + Carbon disulfide = (CS+ • Carbon disulfide)

By formula: CS+ + CS2 = (CS+ • CS2)

Quantity Value Units Method Reference Comment
Δr36.0kcal/molPIOno, Linn, et al., 1981gas phase; M

CS2+ + Carbon disulfide = (CS2+ • Carbon disulfide)

By formula: CS2+ + CS2 = (CS2+ • CS2)

Quantity Value Units Method Reference Comment
Δr24.9kcal/molPHPMSHiraoka, Fujimaki, et al., 1994gas phase; M
Δr21.9kcal/molPHPMSMeot-Ner (Mautner) and Field, 1977gas phase; M
Δr17.5kcal/molPIOno, Linn, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Δr23.cal/mol*KPHPMSHiraoka, Fujimaki, et al., 1994gas phase; M
Δr21.9cal/mol*KPHPMSMeot-Ner (Mautner) and Field, 1977gas phase; M

(CS2+ • Carbon disulfide) + Carbon disulfide = (CS2+ • 2Carbon disulfide)

By formula: (CS2+ • CS2) + CS2 = (CS2+ • 2CS2)

Quantity Value Units Method Reference Comment
Δr6.5kcal/molPHPMSHiraoka, Fujimaki, et al., 1994gas phase; M
Δr4.4kcal/molPIOno, Linn, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Δr21.cal/mol*KPHPMSHiraoka, Fujimaki, et al., 1994gas phase; M

(CS2+ • 2Carbon disulfide) + Carbon disulfide = (CS2+ • 3Carbon disulfide)

By formula: (CS2+ • 2CS2) + CS2 = (CS2+ • 3CS2)

Quantity Value Units Method Reference Comment
Δr4.9kcal/molPHPMSHiraoka, Fujimaki, et al., 1994gas phase; Entropy change calculated or estimated; M
Δr3.9kcal/molPIOno, Linn, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Δr17.cal/mol*KN/AHiraoka, Fujimaki, et al., 1994gas phase; Entropy change calculated or estimated; M

(CS2+ • 3Carbon disulfide) + Carbon disulfide = (CS2+ • 4Carbon disulfide)

By formula: (CS2+ • 3CS2) + CS2 = (CS2+ • 4CS2)

Quantity Value Units Method Reference Comment
Δr2.6kcal/molPIOno, Linn, et al., 1980gas phase; M

CS2- + Carbon disulfide = (CS2- • Carbon disulfide)

By formula: CS2- + CS2 = (CS2- • CS2)

Quantity Value Units Method Reference Comment
Δr21.9 ± 1.5kcal/molTDAsHiraoka, Fujimaki, et al., 1994, 2gas phase; B,M
Δr4.4 ± 1.1kcal/molN/ATsukuda, Hirose, et al., 1997gas phase; EA given is Vertical Detachment Energy. Affinity is difference from next lower Vertical De; B
Δr4.10 ± 0.60kcal/molLPESBowen and Eaton, 1988gas phase; B
Quantity Value Units Method Reference Comment
Δr30.cal/mol*KPHPMSHiraoka, Fujimaki, et al., 1994gas phase; M
Quantity Value Units Method Reference Comment
Δr13.0 ± 2.5kcal/molTDAsHiraoka, Fujimaki, et al., 1994, 2gas phase; B

(CS2- • Carbon disulfide) + Carbon disulfide = (CS2- • 2Carbon disulfide)

By formula: (CS2- • CS2) + CS2 = (CS2- • 2CS2)

Quantity Value Units Method Reference Comment
Δr4.60 ± 0.70kcal/molN/ATsukuda, Hirose, et al., 1997gas phase; EA given is Vertical Detachment Energy. Affinity is difference from next lower Vertical De; B
Δr6.4 ± 1.4kcal/molTDAsHiraoka, Fujimaki, et al., 1994, 2gas phase; B,M
Quantity Value Units Method Reference Comment
Δr21.cal/mol*KPHPMSHiraoka, Fujimaki, et al., 1994gas phase; M
Quantity Value Units Method Reference Comment
Δr0.1 ± 3.3kcal/molTDAsHiraoka, Fujimaki, et al., 1994, 2gas phase; B

(CS2- • 2Carbon disulfide) + Carbon disulfide = (CS2- • 3Carbon disulfide)

By formula: (CS2- • 2CS2) + CS2 = (CS2- • 3CS2)

Quantity Value Units Method Reference Comment
Δr-23.40kcal/molN/ATsukuda, Hirose, et al., 1997gas phase; EA given is Vertical Detachment Energy. Affinity is difference from next lower Vertical De; B

(CS2- • 3Carbon disulfide) + Carbon disulfide = (CS2- • 4Carbon disulfide)

By formula: (CS2- • 3CS2) + CS2 = (CS2- • 4CS2)

Quantity Value Units Method Reference Comment
Δr2.3 ± 6.7kcal/molN/ATsukuda, Hirose, et al., 1997gas phase; EA given is Vertical Detachment Energy. Affinity is difference from next lower Vertical De; B

(CS2- • 4Carbon disulfide) + Carbon disulfide = (CS2- • 5Carbon disulfide)

By formula: (CS2- • 4CS2) + CS2 = (CS2- • 5CS2)

Quantity Value Units Method Reference Comment
Δr1.8 ± 6.6kcal/molN/ATsukuda, Hirose, et al., 1997gas phase; EA given is Vertical Detachment Energy. Affinity is difference from next lower Vertical De; B

C6H6+ + Carbon disulfide = (C6H6+ • Carbon disulfide)

By formula: C6H6+ + CS2 = (C6H6+ • CS2)

Quantity Value Units Method Reference Comment
Δr12.2kcal/molPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M
Quantity Value Units Method Reference Comment
Δr24.cal/mol*KPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M

Chlorine anion + Carbon disulfide = (Chlorine anion • Carbon disulfide)

By formula: Cl- + CS2 = (Cl- • CS2)

Quantity Value Units Method Reference Comment
Δr8.80 ± 0.20kcal/molTDAsHiraoka, Fujimaki, et al., 1993gas phase; B,M
Δr11.7 ± 2.0kcal/molIMRELarson and McMahon, 1985gas phase; B,M
Quantity Value Units Method Reference Comment
Δr13.9cal/mol*KPHPMSHiraoka, Fujimaki, et al., 1993gas phase; M
Δr20.cal/mol*KN/ALarson and McMahon, 1985gas phase; switching reaction,Thermochemical ladder(Cl-)t-C4H9OH, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr4.6 ± 2.2kcal/molTDAsHiraoka, Fujimaki, et al., 1993gas phase; B
Δr5.7 ± 2.0kcal/molIMRELarson and McMahon, 1985gas phase; B,M

(Chlorine anion • Carbon disulfide) + Carbon disulfide = (Chlorine anion • 2Carbon disulfide)

By formula: (Cl- • CS2) + CS2 = (Cl- • 2CS2)

Quantity Value Units Method Reference Comment
Δr7.70 ± 0.20kcal/molTDAsHiraoka, Fujimaki, et al., 1993gas phase; B,M
Quantity Value Units Method Reference Comment
Δr15.8cal/mol*KPHPMSHiraoka, Fujimaki, et al., 1993gas phase; M
Quantity Value Units Method Reference Comment
Δr3.0 ± 1.0kcal/molTDAsHiraoka, Fujimaki, et al., 1993gas phase; B

(Chlorine anion • 2Carbon disulfide) + Carbon disulfide = (Chlorine anion • 3Carbon disulfide)

By formula: (Cl- • 2CS2) + CS2 = (Cl- • 3CS2)

Quantity Value Units Method Reference Comment
Δr7.20 ± 0.20kcal/molTDAsHiraoka, Fujimaki, et al., 1993gas phase; B,M
Quantity Value Units Method Reference Comment
Δr21.3cal/mol*KPHPMSHiraoka, Fujimaki, et al., 1993gas phase; M
Quantity Value Units Method Reference Comment
Δr0.8 ± 1.0kcal/molTDAsHiraoka, Fujimaki, et al., 1993gas phase; B

(Chlorine anion • 3Carbon disulfide) + Carbon disulfide = (Chlorine anion • 4Carbon disulfide)

By formula: (Cl- • 3CS2) + CS2 = (Cl- • 4CS2)

Quantity Value Units Method Reference Comment
Δr6.8 ± 1.0kcal/molTDAsHiraoka, Fujimaki, et al., 1993gas phase; Estimated entropy; single temperature measurement; B
Quantity Value Units Method Reference Comment
Δr-0.1 ± 1.0kcal/molTDAsHiraoka, Fujimaki, et al., 1993gas phase; Estimated entropy; single temperature measurement; B

Fluorine anion + Carbon disulfide = (Fluorine anion • Carbon disulfide)

By formula: F- + CS2 = (F- • CS2)

Quantity Value Units Method Reference Comment
Δr35.0 ± 1.5kcal/molTDAsHiraoka, Fujimaki, et al., 1993gas phase; B,M
Δr31.3 ± 2.0kcal/molIMRELarson and McMahon, 1985gas phase; B
Quantity Value Units Method Reference Comment
Δr28.2cal/mol*KPHPMSHiraoka, Fujimaki, et al., 1993gas phase; M
Quantity Value Units Method Reference Comment
Δr26.5 ± 1.5kcal/molTDAsHiraoka, Fujimaki, et al., 1993gas phase; B
Δr24.1 ± 2.0kcal/molIMRELarson and McMahon, 1985gas phase; B

(Fluorine anion • Carbon disulfide) + Carbon disulfide = (Fluorine anion • 2Carbon disulfide)

By formula: (F- • CS2) + CS2 = (F- • 2CS2)

Quantity Value Units Method Reference Comment
Δr6.70 ± 0.20kcal/molTDAsHiraoka, Fujimaki, et al., 1993gas phase; B,M
Quantity Value Units Method Reference Comment
Δr15.3cal/mol*KPHPMSHiraoka, Fujimaki, et al., 1993gas phase; M
Quantity Value Units Method Reference Comment
Δr2.1 ± 1.0kcal/molTDAsHiraoka, Fujimaki, et al., 1993gas phase; B

(Fluorine anion • 2Carbon disulfide) + Carbon disulfide = (Fluorine anion • 3Carbon disulfide)

By formula: (F- • 2CS2) + CS2 = (F- • 3CS2)

Quantity Value Units Method Reference Comment
Δr5.4 ± 1.0kcal/molTDAsHiraoka, Fujimaki, et al., 1993gas phase; Estimated entropy; single temperature measurement; B,M
Quantity Value Units Method Reference Comment
Δr17.cal/mol*KN/AHiraoka, Fujimaki, et al., 1993gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr0.3 ± 1.0kcal/molTDAsHiraoka, Fujimaki, et al., 1993gas phase; Estimated entropy; single temperature measurement; B

Iron ion (1+) + Carbon disulfide = (Iron ion (1+) • Carbon disulfide)

By formula: Fe+ + CS2 = (Fe+ • CS2)

Quantity Value Units Method Reference Comment
Δr39.7 ± 1.2kcal/molCIDTRodgers and Armentrout, 2000RCD

(Iron ion (1+) • Carbon disulfide) + Carbon disulfide = (Iron ion (1+) • 2Carbon disulfide)

By formula: (Fe+ • CS2) + CS2 = (Fe+ • 2CS2)

Quantity Value Units Method Reference Comment
Δr44.9 ± 1.4kcal/molCIDTRodgers and Armentrout, 2000RCD

Iodide + Carbon disulfide = (Iodide • Carbon disulfide)

By formula: I- + CS2 = (I- • CS2)

Quantity Value Units Method Reference Comment
Δr7.40 ± 0.20kcal/molTDAsHiraoka, Fujimaki, et al., 1993gas phase; B,M
Quantity Value Units Method Reference Comment
Δr16.7cal/mol*KPHPMSHiraoka, Fujimaki, et al., 1993gas phase; M
Quantity Value Units Method Reference Comment
Δr2.4 ± 1.0kcal/molTDAsHiraoka, Fujimaki, et al., 1993gas phase; B

(Iodide • Carbon disulfide) + Carbon disulfide = (Iodide • 2Carbon disulfide)

By formula: (I- • CS2) + CS2 = (I- • 2CS2)

Quantity Value Units Method Reference Comment
Δr6.80 ± 0.20kcal/molTDAsHiraoka, Fujimaki, et al., 1993gas phase; B,M
Quantity Value Units Method Reference Comment
Δr21.7cal/mol*KPHPMSHiraoka, Fujimaki, et al., 1993gas phase; M
Quantity Value Units Method Reference Comment
Δr0.2 ± 1.0kcal/molTDAsHiraoka, Fujimaki, et al., 1993gas phase; B

Molybdenum ion (1+) + Carbon disulfide = (Molybdenum ion (1+) • Carbon disulfide)

By formula: Mo+ + CS2 = (Mo+ • CS2)

Quantity Value Units Method Reference Comment
Δr16.1 ± 3.0kcal/molCIDTSchroeder, Kretzschmar, et al., 2003RCD

Sulfur cation + Carbon disulfide = (Sulfur cation • Carbon disulfide)

By formula: S+ + CS2 = (S+ • CS2)

Quantity Value Units Method Reference Comment
Δr39.7kcal/molPIGress, Linn, et al., 1980gas phase; M

S2+ + Carbon disulfide = (S2+ • Carbon disulfide)

By formula: S2+ + CS2 = (S2+ • CS2)

Quantity Value Units Method Reference Comment
Δr30.9kcal/molPHPMSHiraoka, Fujimaki, et al., 1994gas phase; M
Δr28.8kcal/molPIOno, Linn, et al., 1981gas phase; M
Δr21.9kcal/molPHPMSMeot-Ner (Mautner) and Field, 1977gas phase; equilibrium uncertain; M
Quantity Value Units Method Reference Comment
Δr25.cal/mol*KPHPMSHiraoka, Fujimaki, et al., 1994gas phase; M
Δr17.1cal/mol*KPHPMSMeot-Ner (Mautner) and Field, 1977gas phase; equilibrium uncertain; M

(S2+ • Carbon disulfide) + Carbon disulfide = (S2+ • 2Carbon disulfide)

By formula: (S2+ • CS2) + CS2 = (S2+ • 2CS2)

Quantity Value Units Method Reference Comment
Δr8.3kcal/molPHPMSHiraoka, Fujimaki, et al., 1994gas phase; M
Quantity Value Units Method Reference Comment
Δr23.cal/mol*KPHPMSHiraoka, Fujimaki, et al., 1994gas phase; M

(S2+ • 2Carbon disulfide) + Carbon disulfide = (S2+ • 3Carbon disulfide)

By formula: (S2+ • 2CS2) + CS2 = (S2+ • 3CS2)

Quantity Value Units Method Reference Comment
Δr5.5kcal/molPHPMSHiraoka, Fujimaki, et al., 1994gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr17.cal/mol*KN/AHiraoka, Fujimaki, et al., 1994gas phase; Entropy change calculated or estimated; M

S2- + Carbon disulfide = (S2- • Carbon disulfide)

By formula: S2- + CS2 = (S2- • CS2)

Quantity Value Units Method Reference Comment
Δr19.1kcal/molPHPMSHiraoka, Fujimaki, et al., 1994gas phase; M
Quantity Value Units Method Reference Comment
Δr29.cal/mol*KPHPMSHiraoka, Fujimaki, et al., 1994gas phase; M

(S2- • Carbon disulfide) + Carbon disulfide = (S2- • 2Carbon disulfide)

By formula: (S2- • CS2) + CS2 = (S2- • 2CS2)

Quantity Value Units Method Reference Comment
Δr6.1kcal/molPHPMSHiraoka, Fujimaki, et al., 1994gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr20.cal/mol*KN/AHiraoka, Fujimaki, et al., 1994gas phase; Entropy change calculated or estimated; M

Vanadium ion (1+) + Carbon disulfide = (Vanadium ion (1+) • Carbon disulfide)

By formula: V+ + CS2 = (V+ • CS2)

Quantity Value Units Method Reference Comment
Δr27.2 ± 3.0kcal/molCIDTSchroeder, Kretzschmar, et al., 2003RCD

Mass spectrum (electron ionization)

Go To: Top, Gas phase ion energetics data, Ion clustering data, Gas Chromatography, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Additional Data

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin NIST Mass Spectrometry Data Center, 1990.
NIST MS number 118705

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


Gas Chromatography

Go To: Top, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Kovats' RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryDB-5100.564.4Miller and Bruno, 200330. m/0.25 mm/0.1 μm
CapillaryDB-5120.576.0Miller and Bruno, 200330. m/0.25 mm/0.1 μm
CapillaryDB-560.558.0Miller and Bruno, 200330. m/0.25 mm/0.1 μm
CapillaryDB-580.557.3Miller and Bruno, 200330. m/0.25 mm/0.1 μm
PackedSE-3042.539.Rudenko, Mal'tsev, et al., 1985Column length: 3. m

Kovats' RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryCBP-1512.Shimadzu, 200325. m/0.2 mm/0.25 μm, He, 50. C @ 5. min, 4. K/min; Tend: 200. C

Kovats' RI, polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryCBP-20733.Shimadzu, 200325. m/0.2 mm/0.25 μm, He, 50. C @ 5. min, 4. K/min; Tend: 200. C

Van Den Dool and Kratz RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryHP-5544.Insausti, Goñi, et al., 200550. m/0.32 mm/1.05 μm, He, 35. C @ 15. min, 8. K/min, 220. C @ 5. min
CapillaryCP Sil 8 CB538.Elmore, Mottram, et al., 200060. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min; Tend: 280. C

Van Den Dool and Kratz RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-5568.Beaulieu and Grimm, 200130. m/0.25 mm/0.25 μm, He; Program: 50C (1min) => 5C/min => 100C => 10C/min => 250C (9min)

Van Den Dool and Kratz RI, polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryDB-Wax745.Malliaa, Fernandez-Garcia, et al., 200560. m/0.32 mm/1. μm, He, 45. C @ 1. min, 5. K/min, 250. C @ 12. min

Van Den Dool and Kratz RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillarySupelcowax-10701.Bianchi, Cantoni, et al., 200730. m/0.25 mm/0.25 μm; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 220C(1min)
CapillarySupelcowax-10701.Bianchi, Careri, et al., 200730. m/0.25 mm/0.25 μm, He; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min)
CapillaryCP-Wax 52CB751.Condurso, Verzera, et al., 200660. m/0.25 mm/0.25 μm, He; Program: 45C(5min) => 10C/min => 80C => 2C/min => 240C
CapillaryCarbowax 20M780.Whitfield, Shea, et al., 1981Column length: 150. m; Column diameter: 0.75 mm; Program: not specified

Normal alkane RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryPolydimethyl siloxane with 5 % Ph groups100.564.Safa and Hadjmohannadi, 200530. m/0.25 mm/0.10 μm, Nitrogen
CapillaryPolydimethyl siloxane with 5 % Ph groups60.558.Safa and Hadjmohannadi, 200530. m/0.25 mm/0.10 μm, Nitrogen
CapillaryPolydimethyl siloxane with 5 % Ph groups80.557.Safa and Hadjmohannadi, 200530. m/0.25 mm/0.10 μm, Nitrogen

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryPolydimethyl siloxane: CP-Sil 5 CB517.Bramston-Cook, 201360. m/0.25 mm/1.0 μm, Helium, 45. C @ 1.45 min, 3.6 K/min, 210. C @ 2.72 min
CapillaryHP-5 MS536.Kotowska, Zalikowski, et al., 201230. m/0.25 mm/0.25 μm, Helium, 35. C @ 5. min, 3. K/min, 300. C @ 15. min
CapillaryOV-101530.Zenkevich, 200525. m/0.20 mm/0.10 μm, N2/He, 6. K/min; Tstart: 50. C; Tend: 250. C
CapillaryPONA537.Yang, Wang, et al., 200350. m/0.20 mm/0.50 μm, 2. K/min; Tstart: 30. C; Tend: 150. C
CapillaryPONA537.Yang, Yang, et al., 200350. m/0.20 mm/0.50 μm, Helium, 2. K/min; Tstart: 30. C; Tend: 170. C
CapillarySPB-5533.Pérès, Begnaud, et al., 200260. m/0.32 mm/1. μm, 40. C @ 5. min, 3. K/min, 200. C @ 5. min
CapillaryHP-5536.García, Martín, et al., 200060. m/0.32 mm/1. μm, He, 3. K/min; Tstart: 40. C; Tend: 240. C
CapillaryDB-1517.Habu, Flath, et al., 19853. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tstart: 0. C; Tend: 250. C
CapillaryOV-101512.del Rosario, de Lumen, et al., 1984He, 0. C @ 1. min, 3. K/min; Column length: 50. m; Column diameter: 0.31 mm; Tend: 225. C

Normal alkane RI, non-polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryHP-5 MS540.Kotowska, Zalikowski, et al., 201230. m/0.25 mm/0.25 μm, Helium; Program: not specified
CapillaryVF-5569.Shivashankar, Roy, et al., 201230. m/0.25 mm/0.25 μm, Helium; Program: 50 0C (2 min) 3 0C/min -> 200 0C (3 min) 10 0C/min -> 220 0C (8 min)
CapillaryVF-5568.Shivashankar, Roy, et al., 201230. m/0.25 mm/0.25 μm, Helium; Program: not specified
CapillaryHP-5544.Pugliese, Sirtori, et al., 200950. m/0.32 mm/1.05 μm, Helium; Program: not specified
CapillaryHP-1515.Barra, Baldovini, et al., 200750. m/0.2 mm/0.33 μm, He; Program: 40C(2min) => 2C/min => 200C => 15C/min => 250C (30min)
CapillaryDB-5 MS517.Liu, Xu, et al., 200760. m/0.32 mm/1.0 μm, Helium; Program: 40 0C (2 min) 6 0C/min -> 100 0C 4 0C/min -> 180 0C 8 0C/min -> 250 0C (12 min)
CapillaryHP-5534.Garcia-Estaban, Ansorena, et al., 200450. m/0.32 mm/1.05 μm; Program: 40C(10min) => 5C/min => 200C => 20C/min => 250C(5min)
CapillaryDB-5534.Garcia-Estaban, Ansorena, et al., 2004, 250. m/0.32 mm/1.05 μm; Program: 40C(10min) => 5C/min => 200C => 20C/min => 250C (5min)
CapillaryBPX-5549.Machiels, Istasse, et al., 200460. m/0.32 mm/1. μm, He; Program: 40C (4min) => 2C/min => 90C => 4C/min => 130C => 8C/min => 250 C (10min)
CapillaryRTX-5 MS549.Machiels and Istasse, 200360. m/0.25 mm/0.5 μm, He; Program: 35C (3min) => 10C/min => 50C => 4C/min => 200C => 50C/min => 250C (10min)
CapillaryPONA537.Yang, Wang, et al., 200350. m/0.20 mm/0.50 μm; Program: not specified
CapillaryMethyl phenyl siloxane (not specified)536.Poligne, Collignan, et al., 2002Program: not specified
CapillaryDB-5 MS561.Luo and Agnew, 200130. m/0.25 mm/1.0 μm, Helium; Program: not specified
CapillaryPolydimethyl siloxanes530.Zenkevich, 2001Program: not specified
CapillarySPB-1527.Flanagan, Streete, et al., 199760. m/0.53 mm/5. μm, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C
CapillarySPB-1518.Nedjma and Maujean, 199530. m/0.32 mm/4. μm, H2; Program: 35(1)-10 -> 55-25 ->250
CapillaryMethyl Silicone524.Zenkevich, Korolenko, et al., 1995Program: not specified
CapillaryDB-1513.Ciccioli, Cecinato, et al., 199460. m/0.32 mm/0.25 μm; Program: not specified
CapillaryDB-1514.Ciccioli, Brancaleoni, et al., 199360. m/0.32 mm/0.25 μm; Program: 3 min at 5 C; 5 - 50 C at 3 deg/min; 50 - 220 C at 5 deg/min
CapillarySPB-1527.Strete, Ruprah, et al., 199260. m/0.53 mm/5.0 μm, Helium; Program: 40 0C (6 min) 5 0C/min -> 80 0C 10 0C/min -> 200 0C
CapillarySPB-1524.Strete, Ruprah, et al., 199260. m/0.53 mm/5.0 μm, Helium; Program: not specified
CapillaryCP Sil 8 CB539.Weller and Wolf, 198940. m/0.25 mm/0.25 μm, He; Program: 30 0C (1 min) 15 0C/min -> 45 0C 3 0C/min -> 120 0C
CapillaryOV-1524.Ramsey and Flanagan, 1982Program: not specified

Normal alkane RI, polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryDB-Wax710.Ganeko, Shoda, et al., 20084. K/min; Column length: 60. m; Column diameter: 0.35 mm; Tstart: 40. C; Tend: 200. C
CapillaryTC-Wax735.Ishikawa, Ito, et al., 200460. m/0.25 mm/0.5 μm, He, 40. C @ 8. min, 3. K/min; Tend: 230. C

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryPolyethylene Glycol748.Zenkevich, Korolenko, et al., 1995Program: not specified
CapillaryCarbowax 20M745.Ramsey and Flanagan, 1982Program: not specified

References

Go To: Top, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), Gas Chromatography, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Cavanagh, Gibson, et al., 2012
Cavanagh, S.J.; Gibson, S.T.; Lewis, B.R., High-resolution photoelectron spectroscopy of linear - bent polyatomic photodetachment transitions: The electron affinity of CS2, J. Chem. Phys., 2012, 137, 14, 144304, https://doi.org/10.1063/1.4757726 . [all data]

Misaizu, Tsunoyama, et al., 2004
Misaizu, F.; Tsunoyama, H.; Yasumura, Y.; Ohshimo, K.; Ohno, K., Photoelectron spectroscopy and density functional theory calculation of Na-n(CS2)(-) cluster negative ions for n=1 and 2, Chem. Phys. Lett., 2004, 389, 4-6, 241-246, https://doi.org/10.1016/j.cplett.2004.03.098 . [all data]

Chowdhury, Heinis, et al., 1986
Chowdhury, S.; Heinis, T.; Grimsrud, E.P.; Kebarle, P., Entropy Changes and Electron Affinities from Gas-Phase Electron Transfer Equilibria: A- + B = A + B-, J. Phys. Chem., 1986, 90, 12, 2747, https://doi.org/10.1021/j100403a037 . [all data]

Scheidt and Weinkauf, 1997
Scheidt, J.; Weinkauf, R., Photodetachment photoelectron spectroscopy of Perylene and CS2: Two Extreme Cases., Chem. Phys. Lett., 1997, 274, 1-3, 18, https://doi.org/10.1016/S0009-2614(97)00648-9 . [all data]

Compton, Dunning, et al., 1996
Compton, R.N.; Dunning, F.B.; Nordlander, P., On the binding of Electrons to CS2: Possible Role of Quadrupole-Bound States, Chem. Phys. Lett., 1996, 253, 1-2, 8, https://doi.org/10.1016/0009-2614(96)00243-6 . [all data]

Chen and Wentworth, 1983
Chen, E.C.M.; Wentworth, W.E., Determination of molecular electron affinities using the electron capture detector in the pulse sampling mode at steady state, J. Phys. Chem., 1983, 87, 45. [all data]

Hughes, Lifschitz, et al., 1973
Hughes, B.M.; Lifschitz, C.; Tiernan, T.O., Electron affinities from endothermic negative-ion charge-transfer reactions. III. NO, NO2, S2, CS2, Cl2, Br2, I2, and C2H, J. Chem. Phys., 1973, 59, 3162. [all data]

Tsukuda, Hirose, et al., 1997
Tsukuda, T.; Hirose, T.; Nagata, T., Negative-ion photoelectron spectroscopy of (CS2)(n)(-): coexistence of electronic isomers, Chem. Phys. Lett., 1997, 279, 3-4, 179-184, https://doi.org/10.1016/S0009-2614(97)01021-X . [all data]

Oakes and Ellison, 1986
Oakes, J.M.; Ellison, G.B., Photoelectron spectroscopy of radical anions, Tetrahedron, 1986, 42, 6263. [all data]

Compton, Reinhardt, et al., 1975
Compton, R.N.; Reinhardt, P.W.; Cooper, C.D., Collisional ionization of Na, K, and Cs by CO2, COS, and CS2: Molecular electron affinities, J. Chem. Phys., 1975, 63, 3821. [all data]

Kraus, Muller-Duysing, et al., 1961
Kraus, K.; Muller-Duysing, W.; Neuert, H., Uber Stosse Langsamer Negativer Ionen mit Ladungsubertragung, Z. Naturfor., 1961, 16A, 1385. [all data]

Fischer, Lochschmidt, et al., 1993
Fischer, I.; Lochschmidt, A.; Strobel, A.; Niedner-Schatteburg, G.; Muller-Dethlefs, K.; Bondybey, V.E., The non-resonant two-photon zero kinetic energy photoelectron spectrum of CS2, Chem. Phys. Lett., 1993, 202, 542. [all data]

Wang, Reutt, et al., 1988
Wang, L.; Reutt, J.E.; Lee, Y.T.; Shirley, D.A., High resolution UV photoelectron spectroscopy of CO2, COS, and CS2 using supersonic molecular beams, J. Electron Spectrosc. Relat. Phenom., 1988, 47, 167. [all data]

Reineck, Wannberg, et al., 1984
Reineck, I.; Wannberg, B.; Veenhuizen, H.; Nohre, C.; Maripuu, R.; Norell, K.-E.; Mattsson, L.; Karlsson, L.; Siegbahn, K., Inelastic scattering and satellite fine structure in the high-resolution UV photoelectron spectrum of CS2, J. Electron Spectrosc. Relat. Phenom., 1984, 34, 235. [all data]

Carnovale, Hitchcock, et al., 1982
Carnovale, F.; Hitchcock, A.P.; Cook, J.P.D.; Brion, C.E., Absolute dipole oscillator strengths for molecular and dissociative photoionization of Cos(10 - 50eV) and CS2(10 - 40eV), Chem. Phys., 1982, 66, 249. [all data]

Kimura, Katsumata, et al., 1981
Kimura, K.; Katsumata, S.; Achiba, Y.; Yamazaki, T.; Iwata, S., Ionization energies, Ab initio assignments, and valence electronic structure for 200 molecules in Handbook of HeI Photoelectron Spectra of Fundamental Organic Compounds, Japan Scientific Soc. Press, Tokyo, 1981. [all data]

Potts and Fattahallah, 1980
Potts, A.W.; Fattahallah, G.H., High-resolution ultraviolet photoelectron spectroscopy of CO2, COS and CS2, J. Phys. B:, 1980, 13, 2545. [all data]

Ono, Linn, et al., 1980
Ono, Y.; Linn, S.H.; Prest, H.F.; Gress, M.E.; Ng, C.Y., Molecular beam photoionization study of carbon disulfide, carbon disulfide dimer and clusters, J. Chem. Phys., 1980, 73, 2523. [all data]

Miletic, Eres, et al., 1980
Miletic, M.; Eres, D.; Veljkovic, M.; Zmbov, K.F., Mass spectrometric study of the ionization and fragmentation of carbon disulphide by monoenergetic electron impact, Int. J. Mass Spectrom. Ion Phys., 1980, 35, 231. [all data]

Hubin-Franskin, Marmet, et al., 1980
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Hubin-Franskin, M.-J.; Delwiche, J.; Natalis, P.; Caprace, G.; Roy, D., On the photoelectron spectrum of CS2, J. Electron Spectrosc. Relat. Phenom., 1980, 18, 295. [all data]

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Natalis, P., Contribution a la spectroscopie photoelectronique. Effets de l'autoionisation dans less spectres photoelectroniques de molecules diatomiques et triatomiques, Acad. R. Belg. Mem. Cl. Sci. Collect. 8, 1973, 41, 1. [all data]

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Potts, A.W.; Williams, T.A., The observation of "forbidden" transitions in He II photoelectron spectra, J. Electron Spectrosc. Relat. Phenom., 1974, 3, 3. [all data]

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Momigny, J.; Mathieu, G.; Wankenne, H.; Ferreira, M.A.A., Collision and non-collision induced predissociation in the appearance of S+ and CS+ ions from CS2 under electron impact, Chem. Phys. Lett., 1973, 21, 606. [all data]

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McMahon, Heinis, et al., 1988
McMahon, T.; Heinis, T.; Nicol, G.; Hovey, J.K.; Kebarle, P., Methyl Cation Affinities, J. Am. Chem. Soc., 1988, 110, 23, 7591, https://doi.org/10.1021/ja00231a002 . [all data]

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Ono, Linn, et al., 1981
Ono, Y.; Linn, S.H.; Prest, H.F.; Gress, M.E.; Ng, C.Y., A Study of the High Rydberg State and Ion - Molecule Reactions of Carbon Disulfide Using the Molecular Beam Photoionization Method, J. Chem. Phys., 1981, 74, 2, 1125, https://doi.org/10.1063/1.441219 . [all data]

Hiraoka, Fujimaki, et al., 1994
Hiraoka, K.; Fujimaki, S.; Aruga, K.; Yamabe, S., Frontier-Controlled Structures of the Gas-Phase A+-(CS2)n Clusters ,A+- = S2+, CS2+, S2-, and CS2-, J. Phys. Chem., 1994, 98, 7, 1802, https://doi.org/10.1021/j100058a014 . [all data]

Hiraoka, Fujimaki, et al., 1994, 2
Hiraoka, K.; Fujimaki, S.; Aruga, K., Frontier-controlled Structures of the Gas Phas Clusters A+/-(CS2)n, A+/- = S2+, CS2+, S2-, and CS2-, J. Phys. Chem. (1994), 1994, 98, 7, 1802-1809, https://doi.org/10.1021/j100058a014 . [all data]

Bowen and Eaton, 1988
Bowen, K.H.; Eaton, J.G., Photodetachment Spectroscopy of Negative Cluster Ions, in The Structure of Small Molecules and Ions, Ed. R. Naaman, Z. Vager, Plenum NY, 1988, 1988, p.147-169. [all data]

Meot-Ner (Mautner), Hamlet, et al., 1978
Meot-Ner (Mautner), M.; Hamlet, P.; Hunter, E.P.; Field, F.H., Bonding Energies in Association Ions of Aromatic Molecules. Correlations with Ionization Energies, J. Am. Chem. Soc., 1978, 100, 17, 5466, https://doi.org/10.1021/ja00485a034 . [all data]

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Larson, J.W.; McMahon, T.B., Fluoride and chloride affinities of the main group oxides, fluorides, oxofluorides, and alkyls. Quantitative scales of lewis acidities from ICR halide exchange equilibria, J. Am. Chem. Soc., 1985, 107, 766. [all data]

Rodgers and Armentrout, 2000
Rodgers, M.T.; Armentrout, P.B., Noncovalent Metal-Ligand Bond Energies as Studied by Threshold Collision-Induced Dissociation, Mass Spectrom. Rev., 2000, 19, 4, 215, https://doi.org/10.1002/1098-2787(200007)19:4<215::AID-MAS2>3.0.CO;2-X . [all data]

Schroeder, Kretzschmar, et al., 2003
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Notes

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