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Volumn 118, Issue 22, 1996, Pages 5290-5295

Structure and bonding of the sulfamic acid zwitterion: Microwave spectrum of +H3N-SO3-

Author keywords

[No Author keywords available]

Indexed keywords

AMMONIA; AMPHOLYTE; SULFAMIC ACID; SULFITE; UNCLASSIFIED DRUG;

EID: 0029999361     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja953983m     Document Type: Article
Times cited : (77)

References (74)
  • 2
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    • Dowden, Hutchinson, and Ross: Straudsburg
    • See, for example: (a) Pearson, R. G. Hard and Soft Acids and Bases; Dowden, Hutchinson, and Ross: Straudsburg, 1973. (b) Drago, R. S. Struct. Bonding 1973, 15, 73. (c) Gutmann, V. The Donor-Acceptor Approach to Molecular Interactions; Plenum: New York, 1978. (d) Satchell, D. P. N.; Satchell, R. S. Q. Rev. Chem. Soc. 1971, 25, 171.
    • (1973) Hard and Soft Acids and Bases
    • Pearson, R.G.1
  • 3
    • 0003103768 scopus 로고
    • See, for example: (a) Pearson, R. G. Hard and Soft Acids and Bases; Dowden, Hutchinson, and Ross: Straudsburg, 1973. (b) Drago, R. S. Struct. Bonding 1973, 15, 73. (c) Gutmann, V. The Donor-Acceptor Approach to Molecular Interactions; Plenum: New York, 1978. (d) Satchell, D. P. N.; Satchell, R. S. Q. Rev. Chem. Soc. 1971, 25, 171.
    • (1973) Struct. Bonding , vol.15 , pp. 73
    • Drago, R.S.1
  • 4
    • 0003442509 scopus 로고
    • Plenum: New York
    • See, for example: (a) Pearson, R. G. Hard and Soft Acids and Bases; Dowden, Hutchinson, and Ross: Straudsburg, 1973. (b) Drago, R. S. Struct. Bonding 1973, 15, 73. (c) Gutmann, V. The Donor-Acceptor Approach to Molecular Interactions; Plenum: New York, 1978. (d) Satchell, D. P. N.; Satchell, R. S. Q. Rev. Chem. Soc. 1971, 25, 171.
    • (1978) The Donor-Acceptor Approach to Molecular Interactions
    • Gutmann, V.1
  • 5
    • 0011563910 scopus 로고
    • See, for example: (a) Pearson, R. G. Hard and Soft Acids and Bases; Dowden, Hutchinson, and Ross: Straudsburg, 1973. (b) Drago, R. S. Struct. Bonding 1973, 15, 73. (c) Gutmann, V. The Donor-Acceptor Approach to Molecular Interactions; Plenum: New York, 1978. (d) Satchell, D. P. N.; Satchell, R. S. Q. Rev. Chem. Soc. 1971, 25, 171.
    • (1971) Q. Rev. Chem. Soc. , vol.25 , pp. 171
    • Satchell, D.P.N.1    Satchell, R.S.2
  • 8
    • 0001670793 scopus 로고    scopus 로고
    • Hargittai, M., Hargittai, I., Eds.; JAI Press: Greenwich, CT
    • See, for example: Leopold, K. R. In Advances in Molecular Structure Research; Hargittai, M., Hargittai, I., Eds.; JAI Press: Greenwich, CT, 1996; Vol. 2, p 103.
    • (1996) Advances in Molecular Structure Research , vol.2 , pp. 103
    • Leopold, K.R.1
  • 35
    • 15844390049 scopus 로고
    • Ph.D. Thesis, University of Minnesota, and references therein
    • (b) Weber, R. J. Ph.D. Thesis, University of Minnesota, 1995, and references therein.
    • (1995)
    • Weber, R.J.1
  • 50
    • 15844396575 scopus 로고    scopus 로고
    • note
    • so is used. Similarly for the ammonia, an average bond length and bond angle are used. The S-O distances are taken from X-ray diffraction and the ammonia parameters are taken from neutron diffraction.
  • 52
    • 15844382110 scopus 로고    scopus 로고
    • note
    • 2(22°). The vibrationally averaged structure of the complex is still axially symmetric, with <θ> = 0.
  • 55
    • 0001641271 scopus 로고
    • 11B) = 3.002(13) MHz: (a) Dreizler, H. Z. Naturforsch. 1992, 47a, 342. (b) Vormann, K. Dissertation, Kiel, 1991.
    • (1992) Z. Naturforsch. , vol.47 A , pp. 342
    • Dreizler, H.1
  • 56
    • 15844391804 scopus 로고
    • Dissertation, Kiel
    • 11B) = 3.002(13) MHz: (a) Dreizler, H. Z. Naturforsch. 1992, 47a, 342. (b) Vormann, K. Dissertation, Kiel, 1991.
    • (1991)
  • 60
    • 15844402835 scopus 로고    scopus 로고
    • note
    • 3, the predicted N-S bond distance is 2.85 Å.
  • 63
    • 15844381720 scopus 로고    scopus 로고
    • note
    • Interestingly, examination of the abundant structural data given in ref 47 indicates that nominally single bonded N-S distances most often lie in the 1.6-1.7-Å range. The apparent shortening relative to the sum of single bond covalent radii may be attributable to contributions from multiply bonded resonance structures.
  • 65
    • 15844378557 scopus 로고    scopus 로고
    • note
    • 3, which also exhibits a significant (0.093 Å) contraction of the dative bond upon crystallization. For this system, 60% of the change in bond length between the gas phase and solid state is realized upon the conglomeration of only four monomer units! See ref 4.
  • 66
    • 0000482301 scopus 로고
    • 14N) has a value of -2.77 MHz (which is much closer to that of a weakly bound complex than the -1.688-MHz value determined here), yet the measured increase in dipole moment upon complexation is 4.14 D! See: (a) Ruoff, R. S.; Emilsson, T.; Jaman, A. I.; Germann, T. C.; Gutowsky, H. S. J. Chem. Phys. 1992, 96, 3441. (b) Keith, T. A.; Bader, R. F. W. J. Chem. Phys. 1992, 96, 3447.
    • (1992) J. Chem. Phys. , vol.96 , pp. 3441
    • Ruoff, R.S.1    Emilsson, T.2    Jaman, A.I.3    Germann, T.C.4    Gutowsky, H.S.5
  • 67
    • 0000572046 scopus 로고
    • 14N) has a value of -2.77 MHz (which is much closer to that of a weakly bound complex than the -1.688-MHz value determined here), yet the measured increase in dipole moment upon complexation is 4.14 D! See: (a) Ruoff, R. S.; Emilsson, T.; Jaman, A. I.; Germann, T. C.; Gutowsky, H. S. J. Chem. Phys. 1992, 96, 3441. (b) Keith, T. A.; Bader, R. F. W. J. Chem. Phys. 1992, 96, 3447.
    • (1992) J. Chem. Phys. , vol.96 , pp. 3447
    • Keith, T.A.1    Bader, R.F.W.2
  • 69
    • 0003899196 scopus 로고
    • Schuster, P., Ed.; Springer-Verlag: Berlin
    • See, for example: Dyke, T. R. In Topics in Current Chemistry; Schuster, P., Ed.; Springer-Verlag: Berlin, 1983.
    • (1983) Topics in Current Chemistry
    • Dyke, T.R.1


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