DOI: 10.1021/ja970763v. <i>tert</i>-Butyl Is Superior to Phenyl as an Agostic Donor to 14-Electron Ir(III)

tert-Butyl Is Superior to Phenyl as an Agostic Donor to 14-Electron Ir(III)

10.1021/ja970763v

Crossref journal-article

American Chemical Society (ACS)

Journal of the American Chemical Society (316)

Bibliography

Cooper, A. C., Streib, W. E., Eisenstein, O., & Caulton, K. G. (1997). tert-Butyl Is Superior to Phenyl as an Agostic Donor to 14-Electron Ir(III). Journal of the American Chemical Society, 119(38), 9069â9070.

Authors 4

Alan C. Cooper (first)
William E. Streib (additional)
Odile Eisenstein (additional)
Kenneth G. Caulton (additional)

References 26 Referenced 60

{'key': 'ja970763vb00001/ja970763vb00001_1', 'volume-title': 'Principles and Applications of Organotransition Metal Chemistry', 'author': 'Collman J. P.'} / Principles and Applications of Organotransition Metal Chemistry by Collman J. P.
10.1351/pac199567020281 / Pure Appl. Chem. by Bengali A. A. (1995)
10.1021/ja953510f / J. Am. Chem. Soc. by Margl P. (1996)
10.1021/ar9501683 / Acc. Chem. Res. by Grubbs R. H. (1996)
10.1039/dt9760002069 / J. Chem. Soc., Dalton Trans. by Empsall H. D. (1976)
10.1016/S0020-1693(96)05249-8 / Inorg. Chim. Acta by Cooper A. C. (1996)
10.1021/om9605488 / Organometallics by Cooper A. C. (1997)
10.1021/om00037a045 / Organometallics by Albéniz A. C. (1992)
10.1021/om960214i / Organometallics by Aizenberg M. (1996)
10.1021/om9607107 / Organometallics by Cooper A. C. (1997)
10.1021/om00059a071 / Organometallics by Brookhart M. (1992)
{'key': 'ja970763vb00007/ja970763vb00007_1', 'first-page': '25', 'volume': '18', 'author': 'Caulton K. G.', 'year': '1994', 'journal-title': 'New J. Chem.'} / New J. Chem. by Caulton K. G. (1994)
10.1021/ja00269a027 / J. Am. Chem. Soc. by For (1986)
Crystal data for C180H180B3F72P6Ir3; C6H5F (−167 °C): a= 20.023(4) Å,b= 28.492(6) Å,c= 19.579(4) Å, α = 109.47(1)°, β = 89.89(1)°, γ = 110.40(1)° withZ= 2 in space group P1̄.R(F) = 0.0660 for 18776 reflections withF> 3σ(F).
10.1021/cr00019a005 / Chem. Rev. by The (1993)
10.1021/ja960499q / J. Am. Chem. Soc. by For (1996)
10.1021/ic00207a008 / Inorg. Chem. by Crabtree R. H. (1985)
10.1107/S0108270188004433 / Acta Crystallogr. Sect. C (Cryst. Struct. Commun.) by Robertson G. B. (1988)
10.1016/0022-328X(83)85065-7 / J. Organomet. Chem. by Brookhart M. (1983)
10.1021/cr00068a002 / Chem. Rev. by Crabtree R. H. (1985)
10.1021/ja00435a017 / J. Am. Chem. Soc. by Otsuka S. (1976)
10.1039/j19680002594 / J. Chem. Soc. A by Bailey N. A. (1968)
The calculations were performed with the Gaussian 94 package. The pseudopotential and basis sets for Ir, P, and H are those of LANL2DZ. Polarization functions were added to P and the hydrides. The hydrogens of PH3are calculated with a minimal basis set. Optimization was carried out at the DFT(B3LYP) level. Gaussian 94: Revision, D. I.; Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Gill, P. M. W.; Johnson, B. G.; Robb, M. A.; Cheeseman, J. R.; Keith, T.; Peterson, G. A.; Montgomery, J. A.; Raghavachari, K.; Al-Laham, M. A.; Zakrzewski, V. G.; Ortiz, J. V.; Foresman, J. B.; Cioslowski, J.; Stefanov, B. B.; Nanayakkara, A.; Challacombe, M.; Peng, C. Y.; Ayala, P. Y.; Chen, W.; Wong, M. W.; Andres, J. L.; Replogle, E. S.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Binkley, J. S.; Defrees, D. J.; Baker, J.; Stewart, J. P.; Head-Gordon, M.; Gonzalez, C.; Pople, J. A., Gaussian, Inc. Pittsburgh, PA, 1995.
10.1039/f29747001599 / J. Chem. Soc., Faraday Trans. 2 by For (1974)
10.1021/om00070a018 / Organometallics by For (1982)
10.1126/science.270.5244.1970 / Science by Arndtsen B. A. (1995)

Dates

Type	When
Created	23 years, 1 month ago (July 26, 2002, 1:32 a.m.)
Deposited	3 years, 10 months ago (Oct. 17, 2021, 12:52 p.m.)
Indexed	5 months, 1 week ago (March 26, 2025, 1:35 p.m.)
Issued	28 years ago (Sept. 1, 1997)
Published	28 years ago (Sept. 1, 1997)
Published Online	27 years, 11 months ago (Sept. 24, 1997)
Published Print	28 years ago (Sept. 1, 1997)

Funders 0

None

BibTeX

@article{Cooper_1997, title={tert-Butyl Is Superior to Phenyl as an Agostic Donor to 14-Electron Ir(III)}, volume={119}, ISSN={1520-5126}, url={http://dx.doi.org/10.1021/ja970763v}, DOI={10.1021/ja970763v}, number={38}, journal={Journal of the American Chemical Society}, publisher={American Chemical Society (ACS)}, author={Cooper, Alan C. and Streib, William E. and Eisenstein, Odile and Caulton, Kenneth G.}, year={1997}, month=sep, pages={9069–9070} }

JSON

{
  "indexed": {
    "date-parts": [
      [
        2025,
        3,
        26
      ]
    ],
    "date-time": "2025-03-26T17:35:17Z",
    "timestamp": 1743010517009
  },
  "reference-count": 26,
  "publisher": "American Chemical Society (ACS)",
  "issue": "38",
  "content-domain": {
    "domain": [],
    "crossmark-restriction": false
  },
  "published-print": {
    "date-parts": [
      [
        1997,
        9,
        1
      ]
    ]
  },
  "DOI": "10.1021/ja970763v",
  "type": "journal-article",
  "created": {
    "date-parts": [
      [
        2002,
        7,
        26
      ]
    ],
    "date-time": "2002-07-26T05:32:33Z",
    "timestamp": 1027661553000
  },
  "page": "9069-9070",
  "source": "Crossref",
  "is-referenced-by-count": 60,
  "title": "<i>tert</i>-Butyl Is Superior to Phenyl as an Agostic Donor to 14-Electron Ir(III)",
  "prefix": "10.1021",
  "volume": "119",
  "author": [
    {
      "given": "Alan C.",
      "family": "Cooper",
      "sequence": "first",
      "affiliation": [
        {
          "name": "Department of Chemistry and Molecular Structure Center Indiana University, Bloomington, Indiana 47405-4001 LSDSMS UMR 5636, Universit\u00e9 de Montpellier 2 34095 Montpellier Cedex 5, France"
        }
      ]
    },
    {
      "given": "William E.",
      "family": "Streib",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "Department of Chemistry and Molecular Structure Center Indiana University, Bloomington, Indiana 47405-4001 LSDSMS UMR 5636, Universit\u00e9 de Montpellier 2 34095 Montpellier Cedex 5, France"
        }
      ]
    },
    {
      "given": "Odile",
      "family": "Eisenstein",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "Department of Chemistry and Molecular Structure Center Indiana University, Bloomington, Indiana 47405-4001 LSDSMS UMR 5636, Universit\u00e9 de Montpellier 2 34095 Montpellier Cedex 5, France"
        }
      ]
    },
    {
      "given": "Kenneth G.",
      "family": "Caulton",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "Department of Chemistry and Molecular Structure Center Indiana University, Bloomington, Indiana 47405-4001 LSDSMS UMR 5636, Universit\u00e9 de Montpellier 2 34095 Montpellier Cedex 5, France"
        }
      ]
    }
  ],
  "member": "316",
  "published-online": {
    "date-parts": [
      [
        1997,
        9,
        24
      ]
    ]
  },
  "reference": [
    {
      "key": "ja970763vb00001/ja970763vb00001_1",
      "volume-title": "Principles and Applications of Organotransition Metal Chemistry",
      "author": "Collman J. P."
    },
    {
      "issue": "2",
      "key": "ja970763vb00001/ja970763vb00001_2",
      "doi-asserted-by": "crossref",
      "first-page": "281",
      "DOI": "10.1351/pac199567020281",
      "volume": "67",
      "author": "Bengali A. A.",
      "year": "1995",
      "journal-title": "Pure Appl. Chem."
    },
    {
      "key": "ja970763vb00002/ja970763vb00002_1",
      "doi-asserted-by": "crossref",
      "first-page": "4434",
      "DOI": "10.1021/ja953510f",
      "volume": "118",
      "author": "Margl P.",
      "year": "1996",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "ja970763vb00002/ja970763vb00002_2",
      "doi-asserted-by": "crossref",
      "first-page": "85",
      "DOI": "10.1021/ar9501683",
      "volume": "29",
      "author": "Grubbs R. H.",
      "year": "1996",
      "journal-title": "Acc. Chem. Res."
    },
    {
      "key": "ja970763vb00003/ja970763vb00003_1",
      "doi-asserted-by": "crossref",
      "first-page": "2069",
      "DOI": "10.1039/dt9760002069",
      "author": "Empsall H. D.",
      "year": "1976",
      "journal-title": "J. Chem. Soc., Dalton Trans."
    },
    {
      "key": "ja970763vb00004/ja970763vb00004_1",
      "doi-asserted-by": "crossref",
      "first-page": "41",
      "DOI": "10.1016/S0020-1693(96)05249-8",
      "volume": "251",
      "author": "Cooper A. C.",
      "year": "1996",
      "journal-title": "Inorg. Chim. Acta"
    },
    {
      "key": "ja970763vb00004/ja970763vb00004_2",
      "doi-asserted-by": "crossref",
      "first-page": "505",
      "DOI": "10.1021/om9605488",
      "volume": "16",
      "author": "Cooper A. C.",
      "year": "1997",
      "journal-title": "Organometallics"
    },
    {
      "key": "ja970763vb00005/ja970763vb00005_1",
      "doi-asserted-by": "crossref",
      "first-page": "242",
      "DOI": "10.1021/om00037a045",
      "volume": "11",
      "author": "Alb\u00e9niz A. C.",
      "year": "1992",
      "journal-title": "Organometallics"
    },
    {
      "key": "ja970763vb00005/ja970763vb00005_2",
      "doi-asserted-by": "crossref",
      "first-page": "3317",
      "DOI": "10.1021/om960214i",
      "volume": "15",
      "author": "Aizenberg M.",
      "year": "1996",
      "journal-title": "Organometallics"
    },
    {
      "key": "ja970763vb00005/ja970763vb00005_3",
      "doi-asserted-by": "crossref",
      "first-page": "1974",
      "DOI": "10.1021/om9607107",
      "volume": "16",
      "author": "Cooper A. C.",
      "year": "1997",
      "journal-title": "Organometallics"
    },
    {
      "key": "ja970763vb00006/ja970763vb00006_1",
      "doi-asserted-by": "crossref",
      "first-page": "3920",
      "DOI": "10.1021/om00059a071",
      "volume": "11",
      "author": "Brookhart M.",
      "year": "1992",
      "journal-title": "Organometallics"
    },
    {
      "key": "ja970763vb00007/ja970763vb00007_1",
      "first-page": "25",
      "volume": "18",
      "author": "Caulton K. G.",
      "year": "1994",
      "journal-title": "New J. Chem."
    },
    {
      "key": "ja970763vb00008/ja970763vb00008_1",
      "doi-asserted-by": "crossref",
      "first-page": "2294",
      "DOI": "10.1021/ja00269a027",
      "volume": "108",
      "author": "For",
      "year": "1986",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "ja970763vb00009/ja970763vb00009_1",
      "unstructured": "Crystal data for C180H180B3F72P6Ir3; C6H5F (\u2212167 \u00b0C):\u2009a= 20.023(4) \u00c5,b= 28.492(6) \u00c5,c= 19.579(4) \u00c5, \u03b1 = 109.47(1)\u00b0, \u03b2 = 89.89(1)\u00b0, \u03b3 = 110.40(1)\u00b0 withZ= 2 in space group P1\u0304.R(F) = 0.0660 for 18776 reflections withF> 3\u03c3(F)."
    },
    {
      "key": "ja970763vb00010/ja970763vb00010_1",
      "doi-asserted-by": "crossref",
      "first-page": "927",
      "DOI": "10.1021/cr00019a005",
      "volume": "93",
      "author": "The",
      "year": "1993",
      "journal-title": "Chem. Rev."
    },
    {
      "key": "ja970763vb00011/ja970763vb00011_1",
      "doi-asserted-by": "crossref",
      "first-page": "6782",
      "DOI": "10.1021/ja960499q",
      "volume": "118",
      "author": "For",
      "year": "1996",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "ja970763vb00012/ja970763vb00012_1",
      "doi-asserted-by": "crossref",
      "first-page": "1986",
      "DOI": "10.1021/ic00207a008",
      "volume": "24",
      "author": "Crabtree R. H.",
      "year": "1985",
      "journal-title": "Inorg. Chem."
    },
    {
      "key": "ja970763vb00012/ja970763vb00012_2",
      "doi-asserted-by": "crossref",
      "first-page": "1383",
      "DOI": "10.1107/S0108270188004433",
      "volume": "44",
      "author": "Robertson G. B.",
      "year": "1988",
      "journal-title": "Acta Crystallogr. Sect. C (Cryst. Struct. Commun.)"
    },
    {
      "key": "ja970763vb00013/ja970763vb00013_1",
      "doi-asserted-by": "crossref",
      "first-page": "395",
      "DOI": "10.1016/0022-328X(83)85065-7",
      "volume": "250",
      "author": "Brookhart M.",
      "year": "1983",
      "journal-title": "J. Organomet. Chem."
    },
    {
      "key": "ja970763vb00013/ja970763vb00013_2",
      "doi-asserted-by": "crossref",
      "first-page": "245",
      "DOI": "10.1021/cr00068a002",
      "volume": "85",
      "author": "Crabtree R. H.",
      "year": "1985",
      "journal-title": "Chem. Rev."
    },
    {
      "key": "ja970763vb00014/ja970763vb00014_1",
      "doi-asserted-by": "crossref",
      "first-page": "5850",
      "DOI": "10.1021/ja00435a017",
      "volume": "98",
      "author": "Otsuka S.",
      "year": "1976",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "ja970763vb00015/ja970763vb00015_1",
      "doi-asserted-by": "crossref",
      "first-page": "2594",
      "DOI": "10.1039/j19680002594",
      "author": "Bailey N. A.",
      "year": "1968",
      "journal-title": "J. Chem. Soc. A"
    },
    {
      "key": "ja970763vb00016/ja970763vb00016_1",
      "unstructured": "The calculations were performed with the Gaussian 94 package. The pseudopotential and basis sets for Ir, P, and H are those of LANL2DZ. Polarization functions were added to P and the hydrides. The hydrogens of PH3are calculated with a minimal basis set. Optimization was carried out at the DFT(B3LYP) level. Gaussian 94:\u2009 Revision, D. I.; Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Gill, P. M. W.; Johnson, B. G.; Robb, M. A.; Cheeseman, J. R.; Keith, T.; Peterson, G. A.; Montgomery, J. A.; Raghavachari, K.; Al-Laham, M. A.; Zakrzewski, V. G.; Ortiz, J. V.; Foresman, J. B.; Cioslowski, J.; Stefanov, B. B.; Nanayakkara, A.; Challacombe, M.; Peng, C. Y.; Ayala, P. Y.; Chen, W.; Wong, M. W.; Andres, J. L.; Replogle, E. S.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Binkley, J. S.; Defrees, D. J.; Baker, J.; Stewart, J. P.; Head-Gordon, M.; Gonzalez, C.; Pople, J. A., Gaussian, Inc.\u2009 Pittsburgh, PA, 1995."
    },
    {
      "key": "ja970763vb00017/ja970763vb00017_1",
      "doi-asserted-by": "crossref",
      "first-page": "1599",
      "DOI": "10.1039/f29747001599",
      "volume": "70",
      "author": "For",
      "year": "1974",
      "journal-title": "J. Chem. Soc., Faraday Trans. 2"
    },
    {
      "key": "ja970763vb00018/ja970763vb00018_1",
      "doi-asserted-by": "crossref",
      "first-page": "1361",
      "DOI": "10.1021/om00070a018",
      "volume": "1",
      "author": "For",
      "year": "1982",
      "journal-title": "Organometallics"
    },
    {
      "key": "ja970763vb00019/ja970763vb00019_1",
      "doi-asserted-by": "crossref",
      "first-page": "1970",
      "DOI": "10.1126/science.270.5244.1970",
      "volume": "270",
      "author": "Arndtsen B. A.",
      "year": "1995",
      "journal-title": "Science"
    }
  ],
  "container-title": "Journal of the American Chemical Society",
  "original-title": [],
  "language": "en",
  "link": [
    {
      "URL": "https://pubs.acs.org/doi/pdf/10.1021/ja970763v",
      "content-type": "unspecified",
      "content-version": "vor",
      "intended-application": "similarity-checking"
    }
  ],
  "deposited": {
    "date-parts": [
      [
        2021,
        10,
        17
      ]
    ],
    "date-time": "2021-10-17T16:52:31Z",
    "timestamp": 1634489551000
  },
  "score": 1,
  "resource": {
    "primary": {
      "URL": "https://pubs.acs.org/doi/10.1021/ja970763v"
    }
  },
  "subtitle": [],
  "short-title": [],
  "issued": {
    "date-parts": [
      [
        1997,
        9,
        1
      ]
    ]
  },
  "references-count": 26,
  "journal-issue": {
    "issue": "38",
    "published-print": {
      "date-parts": [
        [
          1997,
          9,
          1
        ]
      ]
    }
  },
  "alternative-id": [
    "10.1021/ja970763v"
  ],
  "URL": "http://dx.doi.org/10.1021/ja970763v",
  "relation": {},
  "ISSN": [
    "0002-7863",
    "1520-5126"
  ],
  "subject": [],
  "container-title-short": "J. Am. Chem. Soc.",
  "published": {
    "date-parts": [
      [
        1997,
        9,
        1
      ]
    ]
  }
}