DOI: 10.1063/1.469326. Rings and chains in sulfur cluster anions S− to S9−: Theory (simulated annealing) and experiment (photoelectron detachment)

Rings and chains in sulfur cluster anions S− to S9−: Theory (simulated annealing) and experiment (photoelectron detachment)

10.1063/1.469326

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

Density functional calculations with simulated annealing have been performed for singly charged anions of sulfur clusters with up to nine atoms. The calculations predict the existence of two classes of structure: open (chain-like) and closed (ring-like), for which the vertical detachment energies (VDE) and the adiabatic electron affinities for transitions to states of the neutral clusters show pronounced differences. These calculations are complemented by photoelectron detachment measurements on sulfur cluster ions with up to 11 atoms using a pulsed arc cluster ion source (PACIS). The measurements provide unambiguous evidence for the existence of two types of isomers in both S6− and S7−. Although ring structures are generally energetically more stable than chain structures, the environment used to generate the larger clusters (n≳7) favors the formation of the latter. The measured VDE and vibration frequencies agree well with the calculated values.

Bibliography

Hunsicker, S., Jones, R. O., & GantefÃ¶r, G. (1995). Rings and chains in sulfur cluster anions Sâ to S9â: Theory (simulated annealing) and experiment (photoelectron detachment). The Journal of Chemical Physics, 102(15), 5917â5936.

Authors 3

S. Hunsicker (first)
R. O. Jones (additional)
G. Ganteför (additional)

References 79 Referenced 86

{'key': '2024021102380055400_r1'}
{'key': '2024021102380055400_r2', 'first-page': '4427', 'volume': '81', 'year': '1984', 'journal-title': 'J. Chem. Phys.'} / J. Chem. Phys. (1984)
10.1002/bbpc.198800210 / Ber. Bunsenges. Phys. Chem. (1988)
10.1021/j100154a019 / J. Phys. Chem. (1991)
10.1021/j100195a015 / J. Phys. Chem. (1992)
10.1063/1.1679473 / J. Chem. Phys. (1973)
10.1063/1.555735 / J. Phys. Chem. Ref. Data (1985)
10.1063/1.1681268 / J. Phys. Chem. (1974)
10.1021/j100403a007 / J. Phys. Chem. (1986)
10.1002/bbpc.19920960906 / Ber. Bunsenges. Phys. Chem. (1992)
10.1103/PhysRevA.24.1380 / Phys. Rev. A (1981)
10.1063/1.455356 / J. Chem. Phys. (1988)
10.1063/1.459583 / J. Chem. Phys. (1990)
10.1021/ja00180a012 / J. Am. Chem. Soc. (1990)
10.1063/1.461257 / J. Chem. Phys. (1991)
10.1007/BF01113735 / Theor. Chim. Acta (1994)
{'key': '2024021102380055400_r16'}
10.1063/1.465868 / J. Chem. Phys. (1993)
10.1063/1.466582 / J. Chem. Phys. (1994)
10.1103/PhysRevA.30.2745 / Phys. Rev. A (1984)
10.1016/0009-2614(90)85564-S / Chem. Phys. Lett. (1990)
10.1103/PhysRevB.26.4199 / Phys. Rev. B (1982)
{'key': '2024021102380055400_r21', 'first-page': '141', 'volume': '24', 'year': '1990', 'journal-title': 'Int. J. Quantum Chem., Quantum Chem. Symp.'} / Int. J. Quantum Chem., Quantum Chem. Symp. (1990)
10.1063/1.451426 / J. Chem. Phys. (1986)
10.1007/BF02158433 / Experientia (1960)
{'key': '2024021102380055400_r24', 'first-page': '151', 'volume': '29', 'year': '1978', 'journal-title': 'J. Magn. Reson.'} / J. Magn. Reson. (1978)
10.1002/ange.19770891029 / Angew. Chem. (1977)
10.1002/anie.197707151 / Angew. Chem. Int. Ed. Eng. (1977)
10.1515/znb-1980-1111 / Z. Naturforsch. Teil B (1980)
{'key': '2024021102380055400_r27'}
{'key': '2024021102380055400_r28', 'first-page': '231', 'volume': '59', 'year': '1985', 'journal-title': 'Nova Acta Leopoldina'} / Nova Acta Leopoldina (1985)
10.1021/ja00445a017 / J. Am. Chem. Soc. (1977)
10.1103/RevModPhys.61.689 / Rev. Mod. Phys. (1989)
10.1515/znb-1985-0507 / Z. Naturforsch. Teil B (1985)
10.1002/ange.19750871903 / Angew. Chem. (1975)
10.1002/anie.197506551 / Angew. Chem. Int. Ed. Eng. (1975)
10.1002/ange.19770891030 / Angew. Chem. (1977)
10.1002/anie.197707161 / Angew. Chem. Int. Ed. Eng. (1977)
10.1515/znb-1983-0502 / Z. Naturforsch. Teil B (1983)
{'key': '2024021102380055400_r35', 'first-page': '495', 'volume': '34', 'year': '1949', 'journal-title': 'Proc. Natl. Acad. Sci.'} / Proc. Natl. Acad. Sci. (1949)
10.1103/RevModPhys.65.611 / Rev. Mod. Phys. (1993)
{'key': '2024021102380055400_r37'}
10.1103/PhysRevA.20.1693 / Phys. Rev. A (1979)
{'key': '2024021102380055400_r39'}
{'key': '2024021102380055400_r40'}
{'key': '2024021102380055400_r41'}
10.1016/0009-2614(88)87291-9 / Chem. Phys. Lett. (1988)
10.1103/PhysRevLett.56.2598 / Phys. Rev. Lett. (1986)
10.1016/S0009-2614(86)80022-7 / Chem. Phys. Lett. (1986)
10.1126/science.244.4904.562 / Science (1989)
10.1063/1.459004 / J. Chem. Phys. (1990)
10.1063/1.459378 / J. Chem. Phys. (1990)
10.1063/1.465145 / J. Chem. Phys. (1993)
10.1063/1.452170 / J. Chem. Phys. (1987)
10.1016/0009-2614(87)80353-6 / Chem. Phys. Lett. (1987)
10.1063/1.466814 / J. Chem. Phys. (1994)
10.1016/0927-0256(94)90103-1 / Comput. Mater. Sci. (1994)
10.1103/PhysRevB.46.4371 / Phys. Rev. B (1992)
10.1063/1.432997 / J. Chem. Phys. (1976)
10.1021/ic50189a042 / Inorg. Chem. (1978)
{'key': '2024021102380055400_r55'}
10.1016/0022-2852(72)90089-6 / J. Mol. Spectrosc. (1972)
10.1021/ic50153a055 / Inorg. Chem. (1975)
10.1021/ja00792a007 / J. Am. Chem. Soc. (1973)
10.1016/0022-2860(86)85132-8 / J. Mol. Struct. (1986)
10.1002/jrs.1250240103 / J. Raman Spectrosc. (1993)
10.1063/1.451253 / J. Chem. Phys. (1986)
10.1063/1.464758 / J. Chem. Phys. (1993)
10.1063/1.1143397 / Rev. Sci. Instrum. (1992)
10.1016/0009-2614(90)87191-S / Chem. Phys. Lett. (1990)
10.1007/BF01544026 / Z. Phys. D (1991)
10.1103/PhysRevLett.74.1095 / Phys. Rev. Lett. (1995)
{'key': '2024021102380055400_r66'}
10.1063/1.452274 / J. Chem. Phys. (1987)
10.1021/ja00166a009 / J. Am. Chem. Soc. (1990)
{'key': '2024021102380055400_r69'}
10.1063/1.454881 / J. Chem. Phys. (1988)
10.1016/0009-2614(90)87233-H / Chem. Phys. Lett. (1990)
10.1016/0584-8539(75)80086-9 / Spectrochim. Acta Part A (1975)

Dates

Type	When
Created	23 years, 1 month ago (July 26, 2002, 8:13 a.m.)
Deposited	1 year, 6 months ago (Feb. 10, 2024, 9:38 p.m.)
Indexed	2 months, 3 weeks ago (June 10, 2025, 11:03 a.m.)
Issued	30 years, 4 months ago (April 15, 1995)
Published	30 years, 4 months ago (April 15, 1995)
Published Print	30 years, 4 months ago (April 15, 1995)

Funders 0

None

BibTeX

@article{Hunsicker_1995, title={Rings and chains in sulfur cluster anions S− to S9−: Theory (simulated annealing) and experiment (photoelectron detachment)}, volume={102}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.469326}, DOI={10.1063/1.469326}, number={15}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Hunsicker, S. and Jones, R. O. and Ganteför, G.}, year={1995}, month=apr, pages={5917–5936} }

JSON

{
  "indexed": {
    "date-parts": [
      [
        2025,
        6,
        10
      ]
    ],
    "date-time": "2025-06-10T15:03:59Z",
    "timestamp": 1749567839408
  },
  "reference-count": 79,
  "publisher": "AIP Publishing",
  "issue": "15",
  "content-domain": {
    "domain": [
      "pubs.aip.org"
    ],
    "crossmark-restriction": true
  },
  "published-print": {
    "date-parts": [
      [
        1995,
        4,
        15
      ]
    ]
  },
  "abstract": "<jats:p>Density functional calculations with simulated annealing have been performed for singly charged anions of sulfur clusters with up to nine atoms. The calculations predict the existence of two classes of structure: open (chain-like) and closed (ring-like), for which the vertical detachment energies (VDE) and the adiabatic electron affinities for transitions to states of the neutral clusters show pronounced differences. These calculations are complemented by photoelectron detachment measurements on sulfur cluster ions with up to 11 atoms using a pulsed arc cluster ion source (PACIS). The measurements provide unambiguous evidence for the existence of two types of isomers in both S6\u2212 and S7\u2212. Although ring structures are generally energetically more stable than chain structures, the environment used to generate the larger clusters (n\u22737) favors the formation of the latter. The measured VDE and vibration frequencies agree well with the calculated values.</jats:p>",
  "DOI": "10.1063/1.469326",
  "type": "journal-article",
  "created": {
    "date-parts": [
      [
        2002,
        7,
        26
      ]
    ],
    "date-time": "2002-07-26T12:13:04Z",
    "timestamp": 1027685584000
  },
  "page": "5917-5936",
  "update-policy": "http://dx.doi.org/10.1063/aip-crossmark-policy-page",
  "source": "Crossref",
  "is-referenced-by-count": 86,
  "title": "Rings and chains in sulfur cluster anions S\u2212 to S9\u2212: Theory (simulated annealing) and experiment (photoelectron detachment)",
  "prefix": "10.1063",
  "volume": "102",
  "author": [
    {
      "given": "S.",
      "family": "Hunsicker",
      "sequence": "first",
      "affiliation": [
        {
          "name": "Institut f\u00fcr Festk\u00f6rperforschung, Forschungszentrum J\u00fclich, D-52425 J\u00fclich, Germany"
        }
      ]
    },
    {
      "given": "R. O.",
      "family": "Jones",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "Institut f\u00fcr Festk\u00f6rperforschung, Forschungszentrum J\u00fclich, D-52425 J\u00fclich, Germany"
        }
      ]
    },
    {
      "given": "G.",
      "family": "Gantef\u00f6r",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "Institut f\u00fcr Festk\u00f6rperforschung, Forschungszentrum J\u00fclich, D-52425 J\u00fclich, Germany"
        }
      ]
    }
  ],
  "member": "317",
  "reference": [
    {
      "key": "2024021102380055400_r1"
    },
    {
      "key": "2024021102380055400_r2",
      "first-page": "4427",
      "volume": "81",
      "year": "1984",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024021102380055400_r3",
      "doi-asserted-by": "crossref",
      "first-page": "859",
      "DOI": "10.1002/bbpc.198800210",
      "volume": "92",
      "year": "1988",
      "journal-title": "Ber. Bunsenges. Phys. Chem."
    },
    {
      "key": "2024021102380055400_r4",
      "doi-asserted-by": "crossref",
      "first-page": "79",
      "DOI": "10.1021/j100154a019",
      "volume": "95",
      "year": "1991",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "2024021102380055400_r4a",
      "doi-asserted-by": "crossref",
      "first-page": "6579",
      "DOI": "10.1021/j100195a015",
      "volume": "96",
      "year": "1992",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "2024021102380055400_r5",
      "doi-asserted-by": "crossref",
      "first-page": "2079",
      "DOI": "10.1063/1.1679473",
      "volume": "58",
      "year": "1973",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024021102380055400_r6",
      "doi-asserted-by": "crossref",
      "first-page": "731",
      "DOI": "10.1063/1.555735",
      "volume": "14",
      "year": "1985",
      "journal-title": "J. Phys. Chem. Ref. Data"
    },
    {
      "key": "2024021102380055400_r7",
      "doi-asserted-by": "crossref",
      "first-page": "1740",
      "DOI": "10.1063/1.1681268",
      "volume": "60",
      "year": "1974",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "2024021102380055400_r8",
      "doi-asserted-by": "crossref",
      "first-page": "2574",
      "DOI": "10.1021/j100403a007",
      "volume": "90",
      "year": "1986",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "2024021102380055400_r9",
      "doi-asserted-by": "crossref",
      "first-page": "1114",
      "DOI": "10.1002/bbpc.19920960906",
      "volume": "96",
      "year": "1992",
      "journal-title": "Ber. Bunsenges. Phys. Chem."
    },
    {
      "key": "2024021102380055400_r10",
      "doi-asserted-by": "crossref",
      "first-page": "1380",
      "DOI": "10.1103/PhysRevA.24.1380",
      "volume": "24",
      "year": "1981",
      "journal-title": "Phys. Rev. A"
    },
    {
      "key": "2024021102380055400_r11",
      "doi-asserted-by": "crossref",
      "first-page": "6823",
      "DOI": "10.1063/1.455356",
      "volume": "89",
      "year": "1988",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024021102380055400_r12",
      "doi-asserted-by": "crossref",
      "first-page": "5862",
      "DOI": "10.1063/1.459583",
      "volume": "93",
      "year": "1990",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024021102380055400_r13",
      "doi-asserted-by": "crossref",
      "first-page": "8719",
      "DOI": "10.1021/ja00180a012",
      "volume": "112",
      "year": "1990",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "2024021102380055400_r14",
      "doi-asserted-by": "crossref",
      "first-page": "8301",
      "DOI": "10.1063/1.461257",
      "volume": "95",
      "year": "1991",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024021102380055400_r15",
      "doi-asserted-by": "crossref",
      "first-page": "75",
      "DOI": "10.1007/BF01113735",
      "volume": "88",
      "year": "1994",
      "journal-title": "Theor. Chim. Acta"
    },
    {
      "key": "2024021102380055400_r16"
    },
    {
      "key": "2024021102380055400_r17",
      "doi-asserted-by": "crossref",
      "first-page": "6308",
      "DOI": "10.1063/1.465868",
      "volume": "99",
      "year": "1993",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024021102380055400_r17a",
      "doi-asserted-by": "crossref",
      "first-page": "995",
      "DOI": "10.1063/1.466582",
      "volume": "100",
      "year": "1994",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024021102380055400_r18",
      "doi-asserted-by": "crossref",
      "first-page": "2745",
      "DOI": "10.1103/PhysRevA.30.2745",
      "volume": "30",
      "year": "1984",
      "journal-title": "Phys. Rev. A"
    },
    {
      "key": "2024021102380055400_r19",
      "doi-asserted-by": "crossref",
      "first-page": "461",
      "DOI": "10.1016/0009-2614(90)85564-S",
      "volume": "175",
      "year": "1990",
      "journal-title": "Chem. Phys. Lett."
    },
    {
      "key": "2024021102380055400_r20",
      "doi-asserted-by": "crossref",
      "first-page": "4199",
      "DOI": "10.1103/PhysRevB.26.4199",
      "volume": "26",
      "year": "1982",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "2024021102380055400_r21",
      "first-page": "141",
      "volume": "24",
      "year": "1990",
      "journal-title": "Int. J. Quantum Chem., Quantum Chem. Symp."
    },
    {
      "key": "2024021102380055400_r22",
      "doi-asserted-by": "crossref",
      "first-page": "6460",
      "DOI": "10.1063/1.451426",
      "volume": "85",
      "year": "1986",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024021102380055400_r23",
      "doi-asserted-by": "crossref",
      "first-page": "521",
      "DOI": "10.1007/BF02158433",
      "volume": "16",
      "year": "1960",
      "journal-title": "Experientia"
    },
    {
      "key": "2024021102380055400_r24",
      "first-page": "151",
      "volume": "29",
      "year": "1978",
      "journal-title": "J. Magn. Reson."
    },
    {
      "key": "2024021102380055400_r25",
      "doi-asserted-by": "crossref",
      "first-page": "756",
      "DOI": "10.1002/ange.19770891029",
      "volume": "89",
      "year": "1977",
      "journal-title": "Angew. Chem."
    },
    {
      "key": "2024021102380055400_r25a",
      "doi-asserted-by": "crossref",
      "first-page": "715",
      "DOI": "10.1002/anie.197707151",
      "volume": "16",
      "year": "1977",
      "journal-title": "Angew. Chem. Int. Ed. Eng."
    },
    {
      "key": "2024021102380055400_r26",
      "doi-asserted-by": "crossref",
      "first-page": "1378",
      "DOI": "10.1515/znb-1980-1111",
      "volume": "35",
      "year": "1980",
      "journal-title": "Z. Naturforsch. Teil B"
    },
    {
      "key": "2024021102380055400_r27"
    },
    {
      "key": "2024021102380055400_r28",
      "first-page": "231",
      "volume": "59",
      "year": "1985",
      "journal-title": "Nova Acta Leopoldina"
    },
    {
      "key": "2024021102380055400_r29",
      "doi-asserted-by": "crossref",
      "first-page": "760",
      "DOI": "10.1021/ja00445a017",
      "volume": "99",
      "year": "1977",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "2024021102380055400_r30",
      "doi-asserted-by": "crossref",
      "first-page": "689",
      "DOI": "10.1103/RevModPhys.61.689",
      "volume": "61",
      "year": "1989",
      "journal-title": "Rev. Mod. Phys."
    },
    {
      "key": "2024021102380055400_r31",
      "doi-asserted-by": "crossref",
      "first-page": "594",
      "DOI": "10.1515/znb-1985-0507",
      "volume": "40",
      "year": "1985",
      "journal-title": "Z. Naturforsch. Teil B"
    },
    {
      "key": "2024021102380055400_r32",
      "doi-asserted-by": "crossref",
      "first-page": "683",
      "DOI": "10.1002/ange.19750871903",
      "volume": "87",
      "year": "1975",
      "journal-title": "Angew. Chem."
    },
    {
      "key": "2024021102380055400_r32a",
      "doi-asserted-by": "crossref",
      "first-page": "655",
      "DOI": "10.1002/anie.197506551",
      "volume": "14",
      "year": "1975",
      "journal-title": "Angew. Chem. Int. Ed. Eng."
    },
    {
      "key": "2024021102380055400_r33",
      "doi-asserted-by": "crossref",
      "first-page": "757",
      "DOI": "10.1002/ange.19770891030",
      "volume": "89",
      "year": "1977",
      "journal-title": "Angew. Chem."
    },
    {
      "key": "2024021102380055400_r33a",
      "doi-asserted-by": "crossref",
      "first-page": "716",
      "DOI": "10.1002/anie.197707161",
      "volume": "16",
      "year": "1977",
      "journal-title": "Angew. Chem. Int. Ed. Eng."
    },
    {
      "key": "2024021102380055400_r34",
      "doi-asserted-by": "crossref",
      "first-page": "543",
      "DOI": "10.1515/znb-1983-0502",
      "volume": "38",
      "year": "1983",
      "journal-title": "Z. Naturforsch. Teil B"
    },
    {
      "key": "2024021102380055400_r35",
      "first-page": "495",
      "volume": "34",
      "year": "1949",
      "journal-title": "Proc. Natl. Acad. Sci."
    },
    {
      "key": "2024021102380055400_r36",
      "doi-asserted-by": "crossref",
      "first-page": "611",
      "DOI": "10.1103/RevModPhys.65.611",
      "volume": "65",
      "year": "1993",
      "journal-title": "Rev. Mod. Phys."
    },
    {
      "key": "2024021102380055400_r37"
    },
    {
      "key": "2024021102380055400_r38",
      "doi-asserted-by": "crossref",
      "first-page": "1693",
      "DOI": "10.1103/PhysRevA.20.1693",
      "volume": "20",
      "year": "1979",
      "journal-title": "Phys. Rev. A"
    },
    {
      "key": "2024021102380055400_r39"
    },
    {
      "key": "2024021102380055400_r40"
    },
    {
      "key": "2024021102380055400_r41"
    },
    {
      "key": "2024021102380055400_r42",
      "doi-asserted-by": "crossref",
      "first-page": "431",
      "DOI": "10.1016/0009-2614(88)87291-9",
      "volume": "144",
      "year": "1988",
      "journal-title": "Chem. Phys. Lett."
    },
    {
      "key": "2024021102380055400_r43",
      "doi-asserted-by": "crossref",
      "first-page": "2598",
      "DOI": "10.1103/PhysRevLett.56.2598",
      "volume": "56",
      "year": "1986",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "2024021102380055400_r44",
      "doi-asserted-by": "crossref",
      "first-page": "113",
      "DOI": "10.1016/S0009-2614(86)80022-7",
      "volume": "126",
      "year": "1986",
      "journal-title": "Chem. Phys. Lett."
    },
    {
      "key": "2024021102380055400_r45",
      "doi-asserted-by": "crossref",
      "first-page": "562",
      "DOI": "10.1126/science.244.4904.562",
      "volume": "244",
      "year": "1989",
      "journal-title": "Science"
    },
    {
      "key": "2024021102380055400_r46",
      "doi-asserted-by": "crossref",
      "first-page": "6108",
      "DOI": "10.1063/1.459004",
      "volume": "93",
      "year": "1990",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024021102380055400_r47",
      "doi-asserted-by": "crossref",
      "first-page": "7515",
      "DOI": "10.1063/1.459378",
      "volume": "93",
      "year": "1990",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024021102380055400_r48",
      "doi-asserted-by": "crossref",
      "first-page": "3353",
      "DOI": "10.1063/1.465145",
      "volume": "99",
      "year": "1993",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024021102380055400_r49",
      "doi-asserted-by": "crossref",
      "first-page": "1715",
      "DOI": "10.1063/1.452170",
      "volume": "86",
      "year": "1987",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024021102380055400_r50",
      "doi-asserted-by": "crossref",
      "first-page": "119",
      "DOI": "10.1016/0009-2614(87)80353-6",
      "volume": "138",
      "year": "1987",
      "journal-title": "Chem. Phys. Lett."
    },
    {
      "key": "2024021102380055400_r51",
      "doi-asserted-by": "crossref",
      "first-page": "8194",
      "DOI": "10.1063/1.466814",
      "volume": "100",
      "year": "1994",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024021102380055400_r52",
      "doi-asserted-by": "crossref",
      "first-page": "221",
      "DOI": "10.1016/0927-0256(94)90103-1",
      "volume": "2",
      "year": "1994",
      "journal-title": "Comput. Mater. Sci."
    },
    {
      "key": "2024021102380055400_r52a",
      "doi-asserted-by": "crossref",
      "first-page": "4371",
      "DOI": "10.1103/PhysRevB.46.4371",
      "volume": "46",
      "year": "1992",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "2024021102380055400_r53",
      "doi-asserted-by": "crossref",
      "first-page": "4497",
      "DOI": "10.1063/1.432997",
      "volume": "65",
      "year": "1976",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024021102380055400_r54",
      "doi-asserted-by": "crossref",
      "first-page": "3169",
      "DOI": "10.1021/ic50189a042",
      "volume": "17",
      "year": "1978",
      "journal-title": "Inorg. Chem."
    },
    {
      "key": "2024021102380055400_r55"
    },
    {
      "key": "2024021102380055400_r56",
      "doi-asserted-by": "crossref",
      "first-page": "335",
      "DOI": "10.1016/0022-2852(72)90089-6",
      "volume": "42",
      "year": "1972",
      "journal-title": "J. Mol. Spectrosc."
    },
    {
      "key": "2024021102380055400_r57",
      "doi-asserted-by": "crossref",
      "first-page": "2856",
      "DOI": "10.1021/ic50153a055",
      "volume": "14",
      "year": "1975",
      "journal-title": "Inorg. Chem."
    },
    {
      "key": "2024021102380055400_r58",
      "doi-asserted-by": "crossref",
      "first-page": "3486",
      "DOI": "10.1021/ja00792a007",
      "volume": "95",
      "year": "1973",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "2024021102380055400_r59",
      "doi-asserted-by": "crossref",
      "first-page": "355",
      "DOI": "10.1016/0022-2860(86)85132-8",
      "volume": "142",
      "year": "1986",
      "journal-title": "J. Mol. Struct."
    },
    {
      "key": "2024021102380055400_r60",
      "doi-asserted-by": "crossref",
      "first-page": "11",
      "DOI": "10.1002/jrs.1250240103",
      "volume": "24",
      "year": "1993",
      "journal-title": "J. Raman Spectrosc."
    },
    {
      "key": "2024021102380055400_r61",
      "doi-asserted-by": "crossref",
      "first-page": "963",
      "DOI": "10.1063/1.451253",
      "volume": "85",
      "year": "1986",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024021102380055400_r62",
      "doi-asserted-by": "crossref",
      "first-page": "7145",
      "DOI": "10.1063/1.464758",
      "volume": "98",
      "year": "1993",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024021102380055400_r63",
      "doi-asserted-by": "crossref",
      "first-page": "5661",
      "DOI": "10.1063/1.1143397",
      "volume": "63",
      "year": "1992",
      "journal-title": "Rev. Sci. Instrum."
    },
    {
      "key": "2024021102380055400_r64",
      "doi-asserted-by": "crossref",
      "first-page": "293",
      "DOI": "10.1016/0009-2614(90)87191-S",
      "volume": "165",
      "year": "1990",
      "journal-title": "Chem. Phys. Lett."
    },
    {
      "key": "2024021102380055400_r64a",
      "doi-asserted-by": "crossref",
      "first-page": "417",
      "DOI": "10.1007/BF01544026",
      "volume": "20",
      "year": "1991",
      "journal-title": "Z. Phys. D"
    },
    {
      "key": "2024021102380055400_r65",
      "doi-asserted-by": "crossref",
      "first-page": "1095",
      "DOI": "10.1103/PhysRevLett.74.1095",
      "volume": "74",
      "year": "1995",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "2024021102380055400_r66"
    },
    {
      "key": "2024021102380055400_r67",
      "doi-asserted-by": "crossref",
      "first-page": "715",
      "DOI": "10.1063/1.452274",
      "volume": "86",
      "year": "1987",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024021102380055400_r68",
      "doi-asserted-by": "crossref",
      "first-page": "3768",
      "DOI": "10.1021/ja00166a009",
      "volume": "112",
      "year": "1990",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "2024021102380055400_r69"
    },
    {
      "key": "2024021102380055400_r70",
      "doi-asserted-by": "crossref",
      "first-page": "3612",
      "DOI": "10.1063/1.454881",
      "volume": "89",
      "year": "1988",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024021102380055400_r71",
      "doi-asserted-by": "crossref",
      "first-page": "449",
      "DOI": "10.1016/0009-2614(90)87233-H",
      "volume": "173",
      "year": "1990",
      "journal-title": "Chem. Phys. Lett."
    },
    {
      "key": "2024021102380055400_r72",
      "doi-asserted-by": "crossref",
      "first-page": "1065",
      "DOI": "10.1016/0584-8539(75)80086-9",
      "volume": "31",
      "year": "1975",
      "journal-title": "Spectrochim. Acta Part A"
    }
  ],
  "container-title": "The Journal of Chemical Physics",
  "original-title": [],
  "language": "en",
  "link": [
    {
      "URL": "https://pubs.aip.org/aip/jcp/article-pdf/102/15/5917/19058685/5917_1_online.pdf",
      "content-type": "application/pdf",
      "content-version": "vor",
      "intended-application": "syndication"
    },
    {
      "URL": "https://pubs.aip.org/aip/jcp/article-pdf/102/15/5917/19058685/5917_1_online.pdf",
      "content-type": "unspecified",
      "content-version": "vor",
      "intended-application": "similarity-checking"
    }
  ],
  "deposited": {
    "date-parts": [
      [
        2024,
        2,
        11
      ]
    ],
    "date-time": "2024-02-11T02:38:28Z",
    "timestamp": 1707619108000
  },
  "score": 1,
  "resource": {
    "primary": {
      "URL": "https://pubs.aip.org/jcp/article/102/15/5917/480824/Rings-and-chains-in-sulfur-cluster-anions-S-to-S9"
    }
  },
  "subtitle": [],
  "short-title": [],
  "issued": {
    "date-parts": [
      [
        1995,
        4,
        15
      ]
    ]
  },
  "references-count": 79,
  "journal-issue": {
    "issue": "15",
    "published-print": {
      "date-parts": [
        [
          1995,
          4,
          15
        ]
      ]
    }
  },
  "URL": "http://dx.doi.org/10.1063/1.469326",
  "relation": {},
  "ISSN": [
    "0021-9606",
    "1089-7690"
  ],
  "subject": [],
  "published-other": {
    "date-parts": [
      [
        1995,
        4,
        15
      ]
    ]
  },
  "published": {
    "date-parts": [
      [
        1995,
        4,
        15
      ]
    ]
  }
}