DOI: 10.1021/ja0024690. Supramolecular Chain Assemblies Formed by Interaction of a π Molecular Acid Complex of Mercury with π-Base Trinuclear Gold Complexes

Supramolecular Chain Assemblies Formed by Interaction of a π Molecular Acid Complex of Mercury with π-Base Trinuclear Gold Complexes

10.1021/ja0024690

Crossref journal-article

American Chemical Society (ACS)

Journal of the American Chemical Society (316)

Bibliography

Burini, A., Fackler, J. P., Galassi, R., Grant, T. A., Omary, M. A., Rawashdeh-Omary, M. A., Pietroni, B. R., & Staples, R. J. (2000). Supramolecular Chain Assemblies Formed by Interaction of a Ï Molecular Acid Complex of Mercury with Ï-Base Trinuclear Gold Complexes. Journal of the American Chemical Society, 122(45), 11264â11265.

Authors 8

Alfredo Burini (first)
John P. Fackler (additional)
Rossana Galassi (additional)
Tiffany A. Grant (additional)
Mohammad A. Omary (additional)
Manal A. Rawashdeh-Omary (additional)
Bianca R. Pietroni (additional)
Richard J. Staples (additional)

References 20 Referenced 168

10.1021/ic991492n
10.1039/a706795j / J. Chem. Soc., Chem. Commun. by Burini A. (1998)
10.1021/ic990080b
10.1002/anie.199711791
10.1016/S0022-328X(00)91366-4
10.1016/S0020-1693(00)83616-6
10.1126/science.271.5246.163
10.1021/ar9501479
10.1002/(SICI)1521-3773(19991203)38:23%3C3547::AID-ANIE3547%3E3.0.CO;2-P
Reaction of the trinuclear gold complexes with 3 in a 1:1 or 2:1 molecular ratio affords a white, amorphous product which analyzes as a 1:1 adduct with 2. Anal. Calcd for C48H36N3O3Au3Hg3F12: C, 27.15; H, 1.71; N, 1.98. Found: C, 27.00; H, 1.48; N, 1.97. Mp: 198−200 °C with decomposition beginning at 186 °C. Crystals suitable for X-ray structure determination were grown from acetone/hexane with the 2:1 composition observed crystallographically. Since it is known that 3 reacts with a variety of organic bases, it is not surprising that a 1:1 adduct forms. The 2:1 product studied crystallographically forms only slowly upon crystallization.
Crystallographic data for 4 and 5 were obtained using a Bruker SMART CCD diffractometer equipped with an LT-2 low-temperature device operating at 213 K. For 4: orthorhombic, space group Fddd, a = 20.1710(4) Å, b = 31.1178(6) Å, c = 61.2451(6) Å, 50 309 data, R1 = 0.0481 [I > 2F(I)]. Au(1)−C(7), 1.980(13) Å; Au(1)−N(1), 2.028(9) Å; Hg(1)−C(36), 2.103(19) Å; Hg(2)−C(36), 2.103(19) Å; Au−Auintramol ,a v, 3.456 Å; Au(1)−Au(3)intermol, 3.3298 (5) Å; Au(1)−Hg(1), 3.2749(6) Å; Au(2)−Hg(2), 3.6531 Å. For 5: monoclinic, space group C2/c, a = 18.6206(7) Å, b = 22.4385(6) Å, c = 21.1058(7) Å, 23 165 data, R1 = 0.0370 [I > 2F(I)], β = 112.661(1)°. Au−Cav, 1.97 Å; Au−Nav, 2.06 Å; Hg−Cav, 2.07 Å; Au−Auintramol ,a v, 3.269 Å; Au(1)−Au(2)intermol, 3.5439 Å; Au(1)−Hg(1), 3.2422 Å; Au(2)−Hg(2), 3.5060(4) Å.
10.1021/ja0016598
(a) Computational details: All calculations were performed at the density functional theory (DFT) level,(12b) using the Becke three-parameter12c hybrid exchange functional and the Lee−Yang−Parr correlation functional (B3LYP).(12d) The Huzinaga/Dunning basis set of double-ζ quality12e was used for all atoms except Au, for which the Hay−Wadt effective core potential (ECP) with a double-ζ basis set was used.(12f) Single-point energy and electrostatic potential surface calculations were carried out with geometries taken directly from X-ray crystal structures.
(b) Parr, R. G. ; Yang, W. Density-functional Theory of Atoms and Molecules; Oxford University Press: Oxford, 1989.
10.1063/1.464913
10.1039/C2DT30546A
(e) Dunning, T. H., Jr. Hay, P. J. In Modern Theoretical Chemistry; Schaefer, H. F. III, Ed.; Plenum: New York, 1976; Vol. 3, p 1.
10.1063/1.448799
Frisch, M. J. ; Trucks G. W. Schlegel, H. B. Scuseria, G. E. Robb, M. A. Cheeseman, J. R. Zakrzewski, V. G. Montgomery, J. A., Jr. Stratmann, R. E. Burant, J. C. Dapprich, S. Millam, J. M. Daniels, A. D. Kudin, K. N. Strain, M. C. Farkas, O. Tomasi, J. Barone, V. Cossi, M. Cammi, R. Mennucci, B. Pomelli, C. Adamo, C. Clifford, S. Ochterski, J. Petersson, G. A. Ayala, P. Y. Cui, Q. Morokuma, K. Malick, D. K. Rabuck, A. D. Raghavachari, K. Foresman, J. B. Cioslowski, J. Ortiz, J. V. Stefanov, B. B. Liu, G. Liashenko, A. Piskorz, P. Komaromi, I. Gomperts, R. Martin, R. L. Fox, D. J. Keith, T. Al-Laham, M. A. Peng, C. Y. Nanayakkara, A. Gonzales, C. Challacombe, M. Gill, P. M. W. Johnson, B. Chen, W. Wong, M. W. Andres, J. L. Gonzalez, C. Head-Gordon, M. Replogle, E. S. Pople, J. A. Gaussian 98, Revision A.6; Gaussian, Inc. Pittsburgh, PA, 1998.
Graphical representations of the electrostatic potential surfaces were produced using Cerius2, Release 4.0, Molecular Simulations Inc., 1999.

Dates

Type	When
Created	23 years ago (July 26, 2002, 1:57 a.m.)
Deposited	2 years, 4 months ago (March 30, 2023, 7:35 p.m.)
Indexed	3 months, 2 weeks ago (May 3, 2025, 6:02 p.m.)
Issued	24 years, 9 months ago (Oct. 27, 2000)
Published	24 years, 9 months ago (Oct. 27, 2000)
Published Online	24 years, 9 months ago (Oct. 27, 2000)
Published Print	24 years, 9 months ago (Nov. 1, 2000)

Funders 0

None

BibTeX

@article{Burini_2000, title={Supramolecular Chain Assemblies Formed by Interaction of a π Molecular Acid Complex of Mercury with π-Base Trinuclear Gold Complexes}, volume={122}, ISSN={1520-5126}, url={http://dx.doi.org/10.1021/ja0024690}, DOI={10.1021/ja0024690}, number={45}, journal={Journal of the American Chemical Society}, publisher={American Chemical Society (ACS)}, author={Burini, Alfredo and Fackler, John P. and Galassi, Rossana and Grant, Tiffany A. and Omary, Mohammad A. and Rawashdeh-Omary, Manal A. and Pietroni, Bianca R. and Staples, Richard J.}, year={2000}, month=oct, pages={11264–11265} }

JSON

{
  "indexed": {
    "date-parts": [
      [
        2025,
        5,
        3
      ]
    ],
    "date-time": "2025-05-03T22:02:11Z",
    "timestamp": 1746309731161
  },
  "reference-count": 20,
  "publisher": "American Chemical Society (ACS)",
  "issue": "45",
  "content-domain": {
    "domain": [],
    "crossmark-restriction": false
  },
  "published-print": {
    "date-parts": [
      [
        2000,
        11,
        1
      ]
    ]
  },
  "DOI": "10.1021/ja0024690",
  "type": "journal-article",
  "created": {
    "date-parts": [
      [
        2002,
        7,
        26
      ]
    ],
    "date-time": "2002-07-26T05:57:48Z",
    "timestamp": 1027663068000
  },
  "page": "11264-11265",
  "source": "Crossref",
  "is-referenced-by-count": 168,
  "title": "Supramolecular Chain Assemblies Formed by Interaction of a \u03c0 Molecular Acid Complex of Mercury with \u03c0-Base Trinuclear Gold Complexes",
  "prefix": "10.1021",
  "volume": "122",
  "author": [
    {
      "given": "Alfredo",
      "family": "Burini",
      "sequence": "first",
      "affiliation": [
        {
          "name": "Dipartimento di Scienze Chimiche dell' Universit\u00e0 via S. Agostino 1, I-62032 Camerino, Italy Department of Chemistry and Laboratory for Molecular Structure and Bonding, Texas A&M University College Station, Texas 77843 Department of Chemistry and Chemical Biology Harvard University, 12 Oxford Street Cambridge, Massachusetts 02138"
        }
      ]
    },
    {
      "suffix": "Jr.",
      "given": "John P.",
      "family": "Fackler",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "Dipartimento di Scienze Chimiche dell' Universit\u00e0 via S. Agostino 1, I-62032 Camerino, Italy Department of Chemistry and Laboratory for Molecular Structure and Bonding, Texas A&M University College Station, Texas 77843 Department of Chemistry and Chemical Biology Harvard University, 12 Oxford Street Cambridge, Massachusetts 02138"
        }
      ]
    },
    {
      "given": "Rossana",
      "family": "Galassi",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "Dipartimento di Scienze Chimiche dell' Universit\u00e0 via S. Agostino 1, I-62032 Camerino, Italy Department of Chemistry and Laboratory for Molecular Structure and Bonding, Texas A&M University College Station, Texas 77843 Department of Chemistry and Chemical Biology Harvard University, 12 Oxford Street Cambridge, Massachusetts 02138"
        }
      ]
    },
    {
      "given": "Tiffany A.",
      "family": "Grant",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "Dipartimento di Scienze Chimiche dell' Universit\u00e0 via S. Agostino 1, I-62032 Camerino, Italy Department of Chemistry and Laboratory for Molecular Structure and Bonding, Texas A&M University College Station, Texas 77843 Department of Chemistry and Chemical Biology Harvard University, 12 Oxford Street Cambridge, Massachusetts 02138"
        }
      ]
    },
    {
      "given": "Mohammad A.",
      "family": "Omary",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "Dipartimento di Scienze Chimiche dell' Universit\u00e0 via S. Agostino 1, I-62032 Camerino, Italy Department of Chemistry and Laboratory for Molecular Structure and Bonding, Texas A&M University College Station, Texas 77843 Department of Chemistry and Chemical Biology Harvard University, 12 Oxford Street Cambridge, Massachusetts 02138"
        }
      ]
    },
    {
      "given": "Manal A.",
      "family": "Rawashdeh-Omary",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "Dipartimento di Scienze Chimiche dell' Universit\u00e0 via S. Agostino 1, I-62032 Camerino, Italy Department of Chemistry and Laboratory for Molecular Structure and Bonding, Texas A&M University College Station, Texas 77843 Department of Chemistry and Chemical Biology Harvard University, 12 Oxford Street Cambridge, Massachusetts 02138"
        }
      ]
    },
    {
      "given": "Bianca R.",
      "family": "Pietroni",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "Dipartimento di Scienze Chimiche dell' Universit\u00e0 via S. Agostino 1, I-62032 Camerino, Italy Department of Chemistry and Laboratory for Molecular Structure and Bonding, Texas A&M University College Station, Texas 77843 Department of Chemistry and Chemical Biology Harvard University, 12 Oxford Street Cambridge, Massachusetts 02138"
        }
      ]
    },
    {
      "given": "Richard J.",
      "family": "Staples",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "Dipartimento di Scienze Chimiche dell' Universit\u00e0 via S. Agostino 1, I-62032 Camerino, Italy Department of Chemistry and Laboratory for Molecular Structure and Bonding, Texas A&M University College Station, Texas 77843 Department of Chemistry and Chemical Biology Harvard University, 12 Oxford Street Cambridge, Massachusetts 02138"
        }
      ]
    }
  ],
  "member": "316",
  "published-online": {
    "date-parts": [
      [
        2000,
        10,
        27
      ]
    ]
  },
  "reference": [
    {
      "key": "ja0024690b00001/ja0024690b00001_1",
      "doi-asserted-by": "publisher",
      "DOI": "10.1021/ic991492n"
    },
    {
      "key": "ja0024690b00002/ja0024690b00002_1",
      "doi-asserted-by": "crossref",
      "first-page": "95",
      "DOI": "10.1039/a706795j",
      "author": "Burini A.",
      "year": "1998",
      "journal-title": "J. Chem. Soc., Chem. Commun."
    },
    {
      "key": "ja0024690b00003/ja0024690b00003_1",
      "doi-asserted-by": "publisher",
      "DOI": "10.1021/ic990080b"
    },
    {
      "key": "ja0024690b00004/ja0024690b00004_1",
      "doi-asserted-by": "publisher",
      "DOI": "10.1002/anie.199711791"
    },
    {
      "key": "ja0024690b00004/ja0024690b00004_2",
      "doi-asserted-by": "publisher",
      "DOI": "10.1016/S0022-328X(00)91366-4"
    },
    {
      "key": "ja0024690b00005/ja0024690b00005_1",
      "doi-asserted-by": "publisher",
      "DOI": "10.1016/S0020-1693(00)83616-6"
    },
    {
      "key": "ja0024690b00006/ja0024690b00006_1",
      "doi-asserted-by": "publisher",
      "DOI": "10.1126/science.271.5246.163"
    },
    {
      "key": "ja0024690b00007/ja0024690b00007_1",
      "doi-asserted-by": "publisher",
      "DOI": "10.1021/ar9501479"
    },
    {
      "key": "ja0024690b00008/ja0024690b00008_1",
      "doi-asserted-by": "publisher",
      "DOI": "10.1002/(SICI)1521-3773(19991203)38:23%3C3547::AID-ANIE3547%3E3.0.CO;2-P"
    },
    {
      "key": "ja0024690b00009/ja0024690b00009_1",
      "unstructured": "Reaction of the trinuclear gold complexes with 3 in a 1:1 or 2:1 molecular ratio affords a white, amorphous product which analyzes as a 1:1 adduct with 2. Anal. Calcd for C48H36N3O3Au3Hg3F12:\u2009 C, 27.15; H, 1.71; N, 1.98. Found:\u2009 C, 27.00; H, 1.48; N, 1.97. Mp: 198\u2212200 \u00b0C with decomposition beginning at 186 \u00b0C. Crystals suitable for X-ray structure determination were grown from acetone/hexane with the 2:1 composition observed crystallographically. Since it is known that 3 reacts with a variety of organic bases, it is not surprising that a 1:1 adduct forms. The 2:1 product studied crystallographically forms only slowly upon crystallization."
    },
    {
      "key": "ja0024690b00010/ja0024690b00010_1",
      "unstructured": "Crystallographic data for 4 and 5 were obtained using a Bruker SMART CCD diffractometer equipped with an LT-2 low-temperature device operating at 213 K. For 4:\u2009 orthorhombic, space group Fddd, a = 20.1710(4) \u00c5, b = 31.1178(6) \u00c5, c = 61.2451(6) \u00c5, 50\u2009309 data, R1 = 0.0481 [I > 2F(I)]. Au(1)\u2212C(7), 1.980(13) \u00c5; Au(1)\u2212N(1), 2.028(9) \u00c5; Hg(1)\u2212C(36), 2.103(19) \u00c5; Hg(2)\u2212C(36), 2.103(19) \u00c5; Au\u2212Auintramol ,a v, 3.456 \u00c5; Au(1)\u2212Au(3)intermol, 3.3298 (5) \u00c5; Au(1)\u2212Hg(1), 3.2749(6) \u00c5; Au(2)\u2212Hg(2), 3.6531 \u00c5. For 5:\u2009 monoclinic, space group C2/c, a = 18.6206(7) \u00c5, b = 22.4385(6) \u00c5, c = 21.1058(7) \u00c5, 23\u2009165 data, R1 = 0.0370 [I > 2F(I)], \u03b2 = 112.661(1)\u00b0. Au\u2212Cav, 1.97 \u00c5; Au\u2212Nav, 2.06 \u00c5; Hg\u2212Cav, 2.07 \u00c5; Au\u2212Auintramol ,a v, 3.269 \u00c5; Au(1)\u2212Au(2)intermol, 3.5439 \u00c5; Au(1)\u2212Hg(1), 3.2422 \u00c5; Au(2)\u2212Hg(2), 3.5060(4) \u00c5."
    },
    {
      "key": "ja0024690b00011/ja0024690b00011_1",
      "doi-asserted-by": "publisher",
      "DOI": "10.1021/ja0016598"
    },
    {
      "key": "ja0024690b00012/ja0024690b00012_1",
      "unstructured": "(a) Computational details:\u2009 All calculations were performed at the density functional theory (DFT) level,(12b) using the Becke three-parameter12c hybrid exchange functional and the Lee\u2212Yang\u2212Parr correlation functional (B3LYP).(12d) The Huzinaga/Dunning basis set of double-\u03b6 quality12e was used for all atoms except Au, for which the Hay\u2212Wadt effective core potential (ECP) with a double-\u03b6 basis set was used.(12f) Single-point energy and electrostatic potential surface calculations were carried out with geometries taken directly from X-ray crystal structures."
    },
    {
      "key": "ja0024690b00012/ja0024690b00012_2",
      "unstructured": "(b) \n\t\t\t\t\t\tParr, R. G. ; Yang, W. Density-functional Theory of Atoms and Molecules; Oxford University Press:\u2009 Oxford, 1989."
    },
    {
      "key": "ja0024690b00012/ja0024690b00012_3",
      "doi-asserted-by": "publisher",
      "DOI": "10.1063/1.464913"
    },
    {
      "key": "ja0024690b00012/ja0024690b00012_4",
      "doi-asserted-by": "publisher",
      "DOI": "10.1039/C2DT30546A"
    },
    {
      "key": "ja0024690b00012/ja0024690b00012_5",
      "unstructured": "(e) \n\t\t\t\t\t\tDunning, T. H., Jr. \n\t\t\t\t\t\tHay, P. J.  In Modern Theoretical Chemistry; \n\t\t\t\t\t\tSchaefer, H. F. \n\t\t\t\t\t\tIII, Ed.; Plenum:\u2009 New York, 1976; Vol. 3, p 1."
    },
    {
      "key": "ja0024690b00012/ja0024690b00012_6",
      "doi-asserted-by": "publisher",
      "DOI": "10.1063/1.448799"
    },
    {
      "key": "ja0024690b00013/ja0024690b00013_1",
      "unstructured": "Frisch, M. J. ; Trucks G. W. \n\t\t\t\t\t\tSchlegel, H. B. \n\t\t\t\t\t\tScuseria, G. E. \n\t\t\t\t\t\tRobb, M. A. \n\t\t\t\t\t\tCheeseman, J. R. \n\t\t\t\t\t\tZakrzewski, V. G. \n\t\t\t\t\t\tMontgomery, J. A., Jr. \n\t\t\t\t\t\tStratmann, R. E. \n\t\t\t\t\t\tBurant, J. C. \n\t\t\t\t\t\tDapprich, S. \n\t\t\t\t\t\tMillam, J. M. \n\t\t\t\t\t\tDaniels, A. D. \n\t\t\t\t\t\tKudin, K. N. \n\t\t\t\t\t\tStrain, M. C. \n\t\t\t\t\t\tFarkas, O. \n\t\t\t\t\t\tTomasi, J. \n\t\t\t\t\t\tBarone, V. \n\t\t\t\t\t\tCossi, M. \n\t\t\t\t\t\tCammi, R. \n\t\t\t\t\t\tMennucci, B. \n\t\t\t\t\t\tPomelli, C. \n\t\t\t\t\t\tAdamo, C. \n\t\t\t\t\t\tClifford, S. \n\t\t\t\t\t\tOchterski, J. \n\t\t\t\t\t\tPetersson, G. A. \n\t\t\t\t\t\tAyala, P. Y. \n\t\t\t\t\t\tCui, Q. \n\t\t\t\t\t\tMorokuma, K. \n\t\t\t\t\t\tMalick, D. K. \n\t\t\t\t\t\tRabuck, A. D. \n\t\t\t\t\t\tRaghavachari, K. \n\t\t\t\t\t\tForesman, J. B. \n\t\t\t\t\t\tCioslowski, J. \n\t\t\t\t\t\tOrtiz, J. V. \n\t\t\t\t\t\tStefanov, B. B. \n\t\t\t\t\t\tLiu, G. \n\t\t\t\t\t\tLiashenko, A. \n\t\t\t\t\t\tPiskorz, P. \n\t\t\t\t\t\tKomaromi, I. \n\t\t\t\t\t\tGomperts, R. \n\t\t\t\t\t\tMartin, R. L. \n\t\t\t\t\t\tFox, D. J. \n\t\t\t\t\t\tKeith, T. \n\t\t\t\t\t\tAl-Laham, M. A. \n\t\t\t\t\t\tPeng, C. Y. \n\t\t\t\t\t\tNanayakkara, A. \n\t\t\t\t\t\tGonzales, C. \n\t\t\t\t\t\tChallacombe, M. \n\t\t\t\t\t\tGill, P. M. W. \n\t\t\t\t\t\tJohnson, B. \n\t\t\t\t\t\tChen, W. \n\t\t\t\t\t\tWong, M. W. \n\t\t\t\t\t\tAndres, J. L. \n\t\t\t\t\t\tGonzalez, C. \n\t\t\t\t\t\tHead-Gordon, M. \n\t\t\t\t\t\tReplogle, E. S. \n\t\t\t\t\t\tPople, J. A.    Gaussian 98, Revision A.6; Gaussian, Inc.\u2009 Pittsburgh, PA, 1998."
    },
    {
      "key": "ja0024690b00014/ja0024690b00014_1",
      "unstructured": "Graphical representations of the electrostatic potential surfaces were produced using Cerius2, Release 4.0, Molecular Simulations Inc., 1999."
    }
  ],
  "container-title": "Journal of the American Chemical Society",
  "original-title": [],
  "language": "en",
  "link": [
    {
      "URL": "https://pubs.acs.org/doi/pdf/10.1021/ja0024690",
      "content-type": "unspecified",
      "content-version": "vor",
      "intended-application": "similarity-checking"
    }
  ],
  "deposited": {
    "date-parts": [
      [
        2023,
        3,
        30
      ]
    ],
    "date-time": "2023-03-30T23:35:44Z",
    "timestamp": 1680219344000
  },
  "score": 1,
  "resource": {
    "primary": {
      "URL": "https://pubs.acs.org/doi/10.1021/ja0024690"
    }
  },
  "subtitle": [],
  "short-title": [],
  "issued": {
    "date-parts": [
      [
        2000,
        10,
        27
      ]
    ]
  },
  "references-count": 20,
  "journal-issue": {
    "issue": "45",
    "published-print": {
      "date-parts": [
        [
          2000,
          11,
          1
        ]
      ]
    }
  },
  "alternative-id": [
    "10.1021/ja0024690"
  ],
  "URL": "http://dx.doi.org/10.1021/ja0024690",
  "relation": {},
  "ISSN": [
    "0002-7863",
    "1520-5126"
  ],
  "subject": [],
  "container-title-short": "J. Am. Chem. Soc.",
  "published": {
    "date-parts": [
      [
        2000,
        10,
        27
      ]
    ]
  }
}