Why Is the Concerted (2+2) Mechanism of the Reactions of SO3 with Alkenes Favored over the (3+2) Mechanism? Density Functional and Correlated ab Initio Calculations and a Frontier MO Analysis
Publication type: Journal Article
Publication date: 1998-06-18
scimago Q1
wos Q1
SJR: 5.554
CiteScore: 22.5
Impact factor: 15.6
ISSN: 00027863, 15205126
General Chemistry
Catalysis
Biochemistry
Colloid and Surface Chemistry
Abstract
The (2+2) cycloadditions of SO3 to ethene, propene, and 2-methylpropene were investigated with Hartree−Fock, MP2, QCISD(T), and hybrid Hartree−Fock/density functional theory (HF-DFT) methods. Exper...
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17
Total citations:
17
Citations from 2024:
1
(5.88%)
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Haller J., Beno B. R., Houk K. N. Why Is the Concerted (2+2) Mechanism of the Reactions of SO3 with Alkenes Favored over the (3+2) Mechanism? Density Functional and Correlated ab Initio Calculations and a Frontier MO Analysis // Journal of the American Chemical Society. 1998. Vol. 120. No. 26. pp. 6468-6472.
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Haller J., Beno B. R., Houk K. N. Why Is the Concerted (2+2) Mechanism of the Reactions of SO3 with Alkenes Favored over the (3+2) Mechanism? Density Functional and Correlated ab Initio Calculations and a Frontier MO Analysis // Journal of the American Chemical Society. 1998. Vol. 120. No. 26. pp. 6468-6472.
Cite this
RIS
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TY - JOUR
DO - 10.1021/ja974236n
UR - https://doi.org/10.1021/ja974236n
TI - Why Is the Concerted (2+2) Mechanism of the Reactions of SO3 with Alkenes Favored over the (3+2) Mechanism? Density Functional and Correlated ab Initio Calculations and a Frontier MO Analysis
T2 - Journal of the American Chemical Society
AU - Haller, Jan
AU - Beno, Brett R
AU - Houk, K. N.
PY - 1998
DA - 1998/06/18
PB - American Chemical Society (ACS)
SP - 6468-6472
IS - 26
VL - 120
SN - 0002-7863
SN - 1520-5126
ER -
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BibTex (up to 50 authors)
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@article{1998_Haller,
author = {Jan Haller and Brett R Beno and K. N. Houk},
title = {Why Is the Concerted (2+2) Mechanism of the Reactions of SO3 with Alkenes Favored over the (3+2) Mechanism? Density Functional and Correlated ab Initio Calculations and a Frontier MO Analysis},
journal = {Journal of the American Chemical Society},
year = {1998},
volume = {120},
publisher = {American Chemical Society (ACS)},
month = {jun},
url = {https://doi.org/10.1021/ja974236n},
number = {26},
pages = {6468--6472},
doi = {10.1021/ja974236n}
}
Cite this
MLA
Copy
Haller, Jan, et al. “Why Is the Concerted (2+2) Mechanism of the Reactions of SO3 with Alkenes Favored over the (3+2) Mechanism? Density Functional and Correlated ab Initio Calculations and a Frontier MO Analysis.” Journal of the American Chemical Society, vol. 120, no. 26, Jun. 1998, pp. 6468-6472. https://doi.org/10.1021/ja974236n.