Structures of the van der Waals Isomers of Halosulfuric Acids: Microwave Spectra of HX–SO3(X= F, Cl, Br)

Canagaratna, Manjula R.; Phillips, J. A.; Goodfriend, H.; Fiacco, D. L.; Ott, M. E.; Harms, Brian D.; Leopold, K. R.

doi:10.1006/jmsp.1998.7712

Cited by 17 publications

(15 citation statements)

References 34 publications

(50 reference statements)

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“…Briefly, the individual monomer geometries are assumed to remain unchanged upon complexation except that the SO 3 is allowed to distort from its initially planar configuration. The validity of this approach has been discussed elsewhere. − …”

Section: Structure Analysismentioning

confidence: 99%

“…The validity of this approach has been discussed elsewhere. [11][12][13][14][15][16] The coordinates used to describe the structure of RCN-SO 3 (RdH, CH 3 ) are illustrated in Figure 2. R cm is the distance between the centers of mass of the RCN and SO 3 units and R(NS) is the nitrogen-sulfur bond length.…”

Section: Structure Analysismentioning

confidence: 99%

“…In our own work, we have been concerned with the structure and bonding of Lewis acid−base complexes involving primarily BF 3 − and SO 3 . − We have found that with a suitably chosen series of Lewis bases, the dative linkages in these systems can vary from weak, van der Waals attractions to bona fide chemical bonds. Species in the middle portion of the range thus appear to be “partially bound”.…”

Section: Introductionmentioning

confidence: 99%

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Partially Formed Bonds In HCN−SO₃ and CH₃CN−SO₃: A Comparison between Donor−Acceptor Complexes of SO₃ and BF₃

et al. 1999

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The gas-phase structures of HCN−SO3 and CH3CN−SO3 have been determined by microwave spectroscopy in a supersonic jet. Both adducts are symmetric tops with the nitrogen bonded to the SO3. In HCN−SO3, the N−S distance is 2.577(6) Å and the NSO angle is 91.8(4)°. In CH3CN−SO3, the bond length and bond angle are 2.466(16) Å and 92.0(7)°, respectively. The N−S distances are significantly shorter than the sum of van der Waals radii, and the structures are indicative of N−S dative bonds which are in their early stages of development. 14N nuclear hyperfine structure is consistent with this assessment. The bond length−bond angle relationship for a series of SO3 complexes with amine and nitrile donors is examined and compared with that for a similar series of complexes of BF3 and BH3. The variation of bond angle with bond length is strikingly similar for both sets of systems despite the differing atomic sizes of boron and sulfur. With a given base, however, the degree of bond formation to SO3 appears to lag that to BF3.

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Section: Structure Analysismentioning

confidence: 99%

Section: Structure Analysismentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Partially Formed Bonds In HCN−SO₃ and CH₃CN−SO₃: A Comparison between Donor−Acceptor Complexes of SO₃ and BF₃

et al. 1999

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“…Recently in our laboratory we have been concerned with the structure and bonding of electron pair donor−acceptor complexes, primarily involving BF 3 and SO 3 . , Using microwave spectroscopy, − and in some cases X-ray diffraction, , we have investigated a series of adducts of these acids with nitrogen, − , oxygen, and halogen 8,9 donors. We have found that, by suitable choice of the acid−base pair, the nature of the dative bond in the gas phase can be adjusted in a near-continuous manner between that of a van der Waals interaction and that of a fully developed chemical bond.…”

Section: Introductionmentioning

confidence: 99%

Structure, Bonding, and Dipole Moment of (CH₃)₃N−SO₃. A Microwave Study

1999

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Six isotopic derivatives of the complex (CH3)3N-SO3 have been studied in the gas phase by microwave spectroscopy. The N-S bond length is 1.912(20) A, and the NSO angle is 100.1(2) degrees. The dipole moment, determined from Stark effect measurements, is 7.1110(69) D, representing an enhancement of 6.5 D over the sum of the dipole moments of the free monomers. Analysis of the 14N nuclear hyperfine structure indicates that about 0.6 e is transferred from the nitrogen to the SO3 upon formation of the complex. Comparison between the gas-phase structure and that previously determined for the adduct in the solid state reveals small but significant differences, indicating that the formation of the dative bond is slightly less advanced in the gas. Gas-phase and solid-state structural data are compared for several related amine-SO3 systems.

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“…Cyanoacetylene-SO 3 was produced in a manner similar to that used to form other complexes with SO 3 (15)(16)(17). A supersonic expansion of argon seeded with SO 3 was generated by passing argon at a backing pressure of approximately 2 atm over a solid sample of polymerized SO 3 at 0…”

Section: Methodsmentioning

confidence: 99%

Correlation of Dative Bond Length and Donor Proton Affinity in Adducts of SO3: A Good Predictor for HCCCN–SO3

Hunt

Fiacco

Craddock

et al. 2002

Journal of Molecular Spectroscopy

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Structures of the van der Waals Isomers of Halosulfuric Acids: Microwave Spectra of HX–SO3(X= F, Cl, Br)

Cited by 17 publications

References 34 publications

Partially Formed Bonds In HCN−SO₃ and CH₃CN−SO₃: A Comparison between Donor−Acceptor Complexes of SO₃ and BF₃

Partially Formed Bonds In HCN−SO₃ and CH₃CN−SO₃: A Comparison between Donor−Acceptor Complexes of SO₃ and BF₃

Structure, Bonding, and Dipole Moment of (CH₃)₃N−SO₃. A Microwave Study

Correlation of Dative Bond Length and Donor Proton Affinity in Adducts of SO3: A Good Predictor for HCCCN–SO3

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Structures of the van der Waals Isomers of Halosulfuric Acids: Microwave Spectra of HX–SO3(X= F, Cl, Br)

Cited by 17 publications

References 34 publications

Partially Formed Bonds In HCN−SO3 and CH3CN−SO3: A Comparison between Donor−Acceptor Complexes of SO3 and BF3

Partially Formed Bonds In HCN−SO3 and CH3CN−SO3: A Comparison between Donor−Acceptor Complexes of SO3 and BF3

Structure, Bonding, and Dipole Moment of (CH3)3N−SO3. A Microwave Study

Correlation of Dative Bond Length and Donor Proton Affinity in Adducts of SO3: A Good Predictor for HCCCN–SO3

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Resources

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Partially Formed Bonds In HCN−SO₃ and CH₃CN−SO₃: A Comparison between Donor−Acceptor Complexes of SO₃ and BF₃

Partially Formed Bonds In HCN−SO₃ and CH₃CN−SO₃: A Comparison between Donor−Acceptor Complexes of SO₃ and BF₃

Structure, Bonding, and Dipole Moment of (CH₃)₃N−SO₃. A Microwave Study