Gas-solid structure differences in the donor-acceptor complex (CH3)2HN-SO2

J. A. Phillips; D. Britton; K. R. Leopold

doi:10.1007/BF01668411

Gas-solid structure differences in the donor-acceptor complex (CH₃)₂HN-SO₂

J. A. Phillips, D. Britton, K. R. Leopold

Chemistry (Twin Cities)

Research output: Contribution to journal › Article › peer-review

15 Scopus citations

Abstract

The crystal structure of the donor-acceptor adduct (CH₃)₂HN-SO₂ is reported. Crystals of the compound are clear prisms, space group Pna2₁; at -96°C, a = 9.894(1), b = 6.051(2), c = 16.478(3) Å, D = 1.469 g/cm³, V = 786.6(5) Å³, Z = 8. The unit cell contains two crystallographically independent adducts, with N-S bond lengths of 2.015(3) Å and 1.991(3) Å. The average value, 2.00(1) Å is 0.33(4) Å shorter than the 2.34(3) Å value previously determined from microwave spectroscopy of the gas phase species, revealing a large medium effect on the length of the donor-acceptor bond. The structural results are compared with published data for the trimethylamine-SO₂ adduct, and discussed in terms of existing experimental and theoretical results for other donor-acceptor systems.

Original language	English (US)
Pages (from-to)	533-538
Number of pages	6
Journal	Journal of Chemical Crystallography
Volume	26
Issue number	8
DOIs	https://doi.org/10.1007/BF01668411
State	Published - Aug 1996

Keywords

Dative bond
Dimethylamine
Donor-acceptor adduct
Gas-solid structure difference
Lewis acid-base complex
Nitrogen-sulfur bond
Sulfur dioxide

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title = "Gas-solid structure differences in the donor-acceptor complex (CH3)2HN-SO2",

abstract = "The crystal structure of the donor-acceptor adduct (CH3)2HN-SO2 is reported. Crystals of the compound are clear prisms, space group Pna21; at -96°C, a = 9.894(1), b = 6.051(2), c = 16.478(3) {\AA}, D = 1.469 g/cm3, V = 786.6(5) {\AA}3, Z = 8. The unit cell contains two crystallographically independent adducts, with N-S bond lengths of 2.015(3) {\AA} and 1.991(3) {\AA}. The average value, 2.00(1) {\AA} is 0.33(4) {\AA} shorter than the 2.34(3) {\AA} value previously determined from microwave spectroscopy of the gas phase species, revealing a large medium effect on the length of the donor-acceptor bond. The structural results are compared with published data for the trimethylamine-SO2 adduct, and discussed in terms of existing experimental and theoretical results for other donor-acceptor systems.",

keywords = "Dative bond, Dimethylamine, Donor-acceptor adduct, Gas-solid structure difference, Lewis acid-base complex, Nitrogen-sulfur bond, Sulfur dioxide",

author = "Phillips, {J. A.} and D. Britton and Leopold, {K. R.}",

year = "1996",

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T1 - Gas-solid structure differences in the donor-acceptor complex (CH3)2HN-SO2

AU - Phillips, J. A.

AU - Britton, D.

AU - Leopold, K. R.

PY - 1996/8

Y1 - 1996/8

N2 - The crystal structure of the donor-acceptor adduct (CH3)2HN-SO2 is reported. Crystals of the compound are clear prisms, space group Pna21; at -96°C, a = 9.894(1), b = 6.051(2), c = 16.478(3) Å, D = 1.469 g/cm3, V = 786.6(5) Å3, Z = 8. The unit cell contains two crystallographically independent adducts, with N-S bond lengths of 2.015(3) Å and 1.991(3) Å. The average value, 2.00(1) Å is 0.33(4) Å shorter than the 2.34(3) Å value previously determined from microwave spectroscopy of the gas phase species, revealing a large medium effect on the length of the donor-acceptor bond. The structural results are compared with published data for the trimethylamine-SO2 adduct, and discussed in terms of existing experimental and theoretical results for other donor-acceptor systems.

AB - The crystal structure of the donor-acceptor adduct (CH3)2HN-SO2 is reported. Crystals of the compound are clear prisms, space group Pna21; at -96°C, a = 9.894(1), b = 6.051(2), c = 16.478(3) Å, D = 1.469 g/cm3, V = 786.6(5) Å3, Z = 8. The unit cell contains two crystallographically independent adducts, with N-S bond lengths of 2.015(3) Å and 1.991(3) Å. The average value, 2.00(1) Å is 0.33(4) Å shorter than the 2.34(3) Å value previously determined from microwave spectroscopy of the gas phase species, revealing a large medium effect on the length of the donor-acceptor bond. The structural results are compared with published data for the trimethylamine-SO2 adduct, and discussed in terms of existing experimental and theoretical results for other donor-acceptor systems.

KW - Dative bond

KW - Dimethylamine

KW - Donor-acceptor adduct

KW - Gas-solid structure difference

KW - Lewis acid-base complex

KW - Nitrogen-sulfur bond

KW - Sulfur dioxide

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