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Volumn 109, Issue 40, 2005, Pages 9118-9122

Calculations on the group 15 intraring substituted benzenes (pyridine to bismin series) and their datively bonded oxides and sulfides

(1)  Shobe, David S a  

a NONE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

HYDROGENATION; MOLECULAR STRUCTURE; NITROGEN COMPOUNDS; PROBABILITY DENSITY FUNCTION;

EID: 27144543020     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp046733d     Document Type: Article
Times cited : (11)

References (29)
  • 1
    • 85099525410 scopus 로고    scopus 로고
    • note
    • 3. In another variant of the Hantzsch-Widman system, the series of names is: pyridine, phosphinine, arsinine, stibinine, bismine.
  • 3
    • 0001725810 scopus 로고
    • The Group 5 Heterobenzenes.
    • Ashe, A. J., III. The Group 5 Heterobenzenes. Acc. Chem. Res. 1978, 11, 153-57.
    • (1978) Acc. Chem. Res. , vol.11 , pp. 153-157
    • Ashe III, A.J.1
  • 4
    • 58149212498 scopus 로고
    • π-Overlap, pyramidalization, and protonation of Group 15 heterocycles. the basicities of the 'higher pyridines'
    • Berger, D. J.; Gaspar, P. P.; Liebman, J. F. π-Overlap, pyramidalization, and protonation of Group 15 heterocycles. The basicities of the 'higher pyridines'. THEOCHEM 1995, 338, 51-70.
    • (1995) THEOCHEM , vol.338 , pp. 51-70
    • Berger, D.J.1    Gaspar, P.P.2    Liebman, J.F.3
  • 5
    • 0036472280 scopus 로고    scopus 로고
    • Aromaticity of annulated benzene, pyridine, and phosphabenzene
    • Bachrach, S. M. Aromaticity of annulated benzene, pyridine, and phosphabenzene. J. Organometallic Chem. 2002, 643-644, 39-46.
    • (2002) J. Organometallic Chem. , vol.643-644 , pp. 39-46
    • Bachrach, S.M.1
  • 6
    • 0345911469 scopus 로고    scopus 로고
    • Aromatic λ3-heterocycles. III. Comparison of geometry predicted by semiempirical MO calculations
    • (a) Mracec, M.; Mracec, M.; Kurunczi, L. Aromatic λ3-heterocycles. III. Comparison of geometry predicted by semiempirical MO calculations. Rev. Roum. Chim. 1997, 42 (4), 319-24.
    • (1997) Rev. Roum. Chim. , vol.42 , Issue.4 , pp. 319-324
    • Mracec, M.1    Mracec, M.2    Kurunczi, L.3
  • 7
    • 27144442661 scopus 로고
    • Aromatic λ3-heterocycles. IV. Optimized geometry by semiempirical MO calculations
    • (b) Mracec, M.; Mracec, M.; Simon, Z. Aromatic λ3-heterocycles. IV. Optimized geometry by semiempirical MO calculations. Ann. West University Timisoara, Ser. Chem. 1995, 5, 61-72.
    • (1995) Ann. West University Timisoara, Ser. Chem. , vol.5 , pp. 61-72
    • Mracec, M.1    Mracec, M.2    Simon, Z.3
  • 10
    • 0036195697 scopus 로고    scopus 로고
    • A computational study of the valence isomers of benzene and their group v heteroanalogues
    • Dava Priyakumar, U.; Dinadayalane, T. C.; Narashari Sastry, G. A computational study of the valence isomers of benzene and their group V heteroanalogues. New J. Chem. 2002, 26, 347-53.
    • (2002) New J. Chem. , vol.26 , pp. 347-353
    • Dava Priyakumar, U.1    Dinadayalane, T.C.2    Narashari Sastry, G.3
  • 11
    • 0345305285 scopus 로고    scopus 로고
    • On the use of NICS criterion to evaluate aromaticity in heteroatomics involving III and IV row main group elements
    • Saieswari, A.; Deva Priyakumar, U.; Narahari Sastry, G. On the use of NICS criterion to evaluate aromaticity in heteroatomics involving III and IV row main group elements. THEOCHEM 2003, 663, 145-48.
    • (2003) THEOCHEM , vol.663 , pp. 145-148
    • Saieswari, A.1    Deva Priyakumar, U.2    Narahari Sastry, G.3
  • 12
    • 27144472165 scopus 로고
    • PPP-type calculations on π-π* chromophores of betainic thiolates and related compounds
    • Fabian, J. PPP-type calculations on π-π* chromophores of betainic thiolates and related compounds. Izv. Khim. 1987, 20 (4), 562-68.
    • (1987) Izv. Khim. , vol.20 , Issue.4 , pp. 562-568
    • Fabian, J.1
  • 13
    • 27144437808 scopus 로고
    • Canonical and localized orbitals, structure and properties of sydnone and other mesoionic heterocycles: Quantum-chemical nature of mesoionic character
    • Borisov, E. V. Canonical and localized orbitals, structure and properties of sydnone and other mesoionic heterocycles: quantum-chemical nature of mesoionic character. Zh. Fiz. Khim. 1982, 56 (8), 1965-72.
    • (1982) Zh. Fiz. Khim. , vol.56 , Issue.8 , pp. 1965-1972
    • Borisov, E.V.1
  • 14
    • 27144510876 scopus 로고
    • Electronic structure and properties of mesoionic heterocycles, their phosphorus-containing analogues. II. α,γ-Phosphorinones and phosphorin P-oxide
    • Borisov, E. V.; Kornienko, E. A. Electronic structure and properties of mesoionic heterocycles, their phosphorus-containing analogues. II. α,γ-Phosphorinones and phosphorin P-oxide. Zh. Fiz. Khim. 1976, 50 (6), 1566-68.
    • (1976) Zh. Fiz. Khim. , vol.50 , Issue.6 , pp. 1566-1568
    • Borisov, E.V.1    Kornienko, E.A.2
  • 16
    • 0000189651 scopus 로고
    • Density functional chemistry. III. The role of exact exchange
    • Becke, A. D. Density functional chemistry. III. The role of exact exchange. J. Chem. Phys. 1993, 98, 5648.
    • (1993) J. Chem. Phys. , vol.98 , pp. 5648
    • Becke, A.D.1
  • 20
    • 84986513567 scopus 로고
    • Determining atom-centered monopoles from molecular electrostatic potentials. the need for high sampling density in formamide conformational analysis
    • Breneman, Curt M.; Wiberg, Kenneth B. Determining Atom-Centered Monopoles from Molecular Electrostatic Potentials. The Need for High Sampling Density in Formamide Conformational Analysis. J. Comput. Chem. 1990, 11 (3), 361-73.
    • (1990) J. Comput. Chem. , vol.11 , Issue.3 , pp. 361-373
    • Breneman, C.M.1    Wiberg Kenneth, B.2
  • 24
    • 0346047571 scopus 로고    scopus 로고
    • Neutral thermochemical data
    • NIST Standard Reference Database Number 69; Linstrom, P. J., Mallard, W. G., Eds.; National Institute of Standards and Technology, Gaithersburg MD, accessed March 11, 2004
    • Afeefy, H. Y.; Liebman, J. F.; Stein, S. E. Neutral Thermochemical Data. In NIST Chemistry WebBook, NIST Standard Reference Database Number 69; Linstrom, P. J., Mallard, W. G., Eds.; National Institute of Standards and Technology, Gaithersburg MD, 2003; http://webbook.nist.gov, accessed March 11, 2004.
    • (2003) NIST Chemistry WebBook
    • Afeefy, H.Y.1    Liebman, J.F.2    Stein, S.E.3
  • 25
    • 0001834601 scopus 로고
    • The mass spectra of volatile hydrides. The monoelemental hydrides of the group IVB, I.; VB elements
    • Saalfeld, F. E.; Svec, H. J. The mass spectra of volatile hydrides. The monoelemental hydrides of the group IVB, I.; VB elements. Inorg. Chem. 1963, 2, 46-50.
    • (1963) Inorg. Chem. , vol.2 , pp. 46-50
    • Saalfeld, F.E.1    Svec, H.J.2
  • 27
    • 0042888578 scopus 로고    scopus 로고
    • Dissected nucleus-independent chemical shift analysis of π-aromaticity and antiaromaticity
    • Schleyer, P. v. R.; Manoharan, M.; Wang, Z.-X.; Kiran, B.; Jiao, H.; Puchta, R.; Hommes, N. J. R. v. E. Dissected nucleus-independent chemical shift analysis of π-aromaticity and antiaromaticity. Org. Lett. 2001, 3 (16), 2465-68.
    • (2001) Org. Lett. , vol.3 , Issue.16 , pp. 2465-2468
    • Schleyer, P.V.R.1    Manoharan, M.2    Wang, Z.-X.3    Kiran, B.4    Jiao, H.5    Puchta, R.6    Hommes, N.J.R.V.E.7
  • 28
    • 0345305285 scopus 로고    scopus 로고
    • On the use of NICS criterion to evaluate aromaticity in heteroaromatics involving III and IV row main group elements
    • Saieswari, A.; Deva Priyakumar, U.; Narahari Sastry, G. On the use of NICS criterion to evaluate aromaticity in heteroaromatics involving III and IV row main group elements. THEOCHEM 2003, 663, 145-48.
    • (2003) THEOCHEM , vol.663 , pp. 145-148
    • Saieswari, A.1    Deva Priyakumar, U.2    Narahari Sastry, G.3
  • 29
    • 0036472280 scopus 로고    scopus 로고
    • Aromaticity of annulated benzene, pyridine, and phosphabenzene
    • Bachrach, S. M. Aromaticity of annulated benzene, pyridine, and phosphabenzene. J. Organometallic Chem. 2002, 643-44, 39-46.
    • (2002) J. Organometallic Chem. , vol.643 , Issue.44 , pp. 39-46
    • Bachrach, S.M.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.