Collect. Czech. Chem. Commun.
1968, 33, 3514-3527
https://doi.org/10.1135/cccc19683514
Semiempirical calculation of conformational structure of 2,4-disubstituted pentanes
S. Sýkora
Crossref Cited-by Linking
- Guo Lin, Dutton Oliver J., Kucukdisli Murat, Davy Matthew, Wagnières Olivier, Butts Craig P., Myers Eddie L., Aggarwal Varinder K.: Conformationally Controlled Linear and Helical Hydrocarbons Bearing Extended Side Chains. J. Am. Chem. Soc. 2021, 143, 16682. <https://doi.org/10.1021/jacs.1c07778>
- Hoffmann Reinhard W., Kahrs B. Colin, Reiß Philipp, Trieselmann Thomas, Stiasny Hans-Christian, Massa Werner: Conformation of Isobutyl, 2,2-Dibromoethyl, and 2-Methoxypropyl Side Chains on Cyclohexane and Tetrahydropyran Ring Systems. Eur. J. Org. Chem. 2001, 2001, 1857. <https://doi.org/10.1002/1099-0690(200105)2001:10<1857::AID-EJOC1857>3.0.CO;2-4>
- Hoffmann Reinhard W., Göttlich Richard, Schopfer Ulrich: Conformation Induction Between Neighboring Dimethylpentane Segments. Eur. J. Org. Chem. 2001, 2001, 1865. <https://doi.org/10.1002/1099-0690(200105)2001:10<1865::AID-EJOC1865>3.0.CO;2-E>
- Gabriëls Stefan, Van Haver Dirk, Vandewalle Maurits, De Clercq Pierre, Verstuyf Annemieke, Bouillon Roger: Development of Analogues of 1α,25-Dihydroxyvitamin D3 with Biased Side Chain Orientation: Methylated Des-C,D-Homo Analogues. Chem. Eur. J. 2001, 7, 520. <https://doi.org/10.1002/1521-3765(20010119)7:2<520::AID-CHEM520>3.0.CO;2-5>
- Hoffmann Reinhard W., Stenkamp Dirk, Trieselmann Thomas, Göttlich Richard: Conformer Equilibria in 2,4-Disubstituted Pentane Derivatives. Eur. J. Org. Chem. 1999, 1999, 2915. <https://doi.org/10.1002/(SICI)1099-0690(199911)1999:11<2915::AID-EJOC2915>3.0.CO;2-R>
- Mina-Camilde Nairmen, Cedeño David L, Manzanares I Carlos: FT-IR spectroscopy in liquid xenon solution, ab initio calculations, normal coordinate analysis, and vibrational assignments of meso-2,4-dichloropentane and racemic-2,4-dichloropentane. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 1998, 54, 419. <https://doi.org/10.1016/S1386-1425(97)00255-2>
- Shim Joong-Youn, Allinger Norman L., Bowen J. Phillip: Molecular mechanics (MM3) studies of monochloroalkanes. J. Phys. Org. Chem. 1997, 10, 3. <https://doi.org/10.1002/(SICI)1099-1395(199701)10:1<3::AID-POC851>3.0.CO;2-A>
- Göttlich Richard, Schopfer Ulrich, Stahl Martin, Hoffmann Reinhard W.: Flexible Molecules with Defined Shape, VII. Conformational Analysis of 3,5‐Dimethylhexene Derivatives, Subunits of Polyketide Derived Natural Products. Liebigs Ann./Recl. 1997, 1997, 1757. <https://doi.org/10.1002/jlac.199719970819>
- Göttlich Richard, Fäcke Thomas, Rolle Ulrike, Hoffmann Reinhard W.: Flexible molecules with defined shape. Part 5. Conformational analysis of 2,4,6,n-polymethylated alkane derivatives. J. Chem. Soc., Perkin Trans. 2 1996, 2059. <https://doi.org/10.1039/P29960002059>
- Bernardi Anna, Comotti Angiolina, Gennari Cesare, Hewkin Cheryl T., Goodman Jonathan M., Schlapbach Achim, Paterson Ian: Computer-assisted design of chiral boron enolates: The role of ate complexes in determining aldol stereoselectivity. Tetrahedron 1994, 50, 1227. <https://doi.org/10.1016/S0040-4020(01)80834-6>
- Hoffmann Reinhard W.: Flexible Moleküle mit definierter Gestalt — Konformationsdesign. Angewandte Chemie 1992, 104, 1147. <https://doi.org/10.1002/ange.19921040905>
- Hoffmann Reinhard W.: Flexible Molecules with Defined Shape—Conformational Design. Angew. Chem. Int. Ed. Engl. 1992, 31, 1124. <https://doi.org/10.1002/anie.199211241>
- Hoffmann Reinhard W., Sander Thomas, Brumm Martin: Flexible molecules with defined shape, II. Control of n‐heptane conformer populations by methyl substitution or ring annulation. Chem. Ber. 1992, 125, 2319. <https://doi.org/10.1002/cber.19921251020>
- Gennari Cesare, Vieth Siegfried, Comotti Angiolina, Vulpetti Anna, Goodman Jonathan M., Paterson Ian: Diastereofacial selectivity in the aldol reactions of chiral α-methyl aldehydes: a computer modelling approach. Tetrahedron 1992, 48, 4439. <https://doi.org/10.1016/S0040-4020(01)80452-X>
- Hoffmann Reinhard W., Julius Manfred: Chiral organometallic reagents, IV. Stereoselective formation of β‐silyloxy‐α‐bromoalkyllithium compounds. Liebigs Ann. Chem. 1991, 1991, 811. <https://doi.org/10.1002/jlac.1991199101138>
- Carballeira L., Pereiras A. J., Rios M. A.: Design and application of a molecular mechanics force field for alkyl iodides including an electrostatic polarization model. J Comput Chem 1990, 11, 734. <https://doi.org/10.1002/jcc.540110606>
- Chough Sung Hyo, Krimm Samuel: Vibrational analysis of 2,3,4-trichloropentanes. Spectrochimica Acta Part A: Molecular Spectroscopy 1990, 46, 1405. <https://doi.org/10.1016/0584-8539(90)80055-4>
- Meyer A.Y.: Molecular mechanics of organic halides Part VII. Iodides. Journal of Molecular Structure 1983, 94, 95. <https://doi.org/10.1016/0022-2860(83)90266-1>
- Meyer A.Y.: Molecular mechanics of organic halides. Journal of Molecular Structure: THEOCHEM 1983, 94, 95. <https://doi.org/10.1016/0166-1280(83)80161-4>
- Meyer A. Y.: Molecular mechanics of organic halides. V. Conformational equilibria in solution. J Comput Chem 1981, 2, 384. <https://doi.org/10.1002/jcc.540020405>
- Meyer A.Y., Ohmichi N.: Molecular mechanics of organic halides. Journal of Molecular Structure 1981, 73, 145. <https://doi.org/10.1016/0022-2860(81)85057-0>
- Ajò David, Granozzi Gaetano, Zannetti Roberto: Conformational flexibility of isotactic poly‐1‐olefins. Makromol. Chem. 1977, 178, 2471. <https://doi.org/10.1002/macp.1977.021780833>
- Meyer A.Y.: Molecular mechanics of saturated organic halides. Journal of Molecular Structure 1977, 40, 127. <https://doi.org/10.1016/0022-2860(77)80012-4>
- Moore W.H., Krimm S.: Vibrational analyses of 2,4-dichloropentane and 2,4,6-trichloroheptane. Journal of Molecular Spectroscopy 1974, 51, 1. <https://doi.org/10.1016/0022-2852(74)90166-0>
- Butler R.S., Goldstein J.H.: An investigation of conformations in 2,4-dichloropentanes. Journal of Molecular Spectroscopy 1974, 51, 27. <https://doi.org/10.1016/0022-2852(74)90167-2>
- �nglin B. A., Onishchenko T. A., Dostovalova V. I., Uterbaev U., Freidlina R. Kh.: Conformational analysis of 1,1,1,3-tetrachloropropane by the pmr method. Russ Chem Bull 1973, 22, 954. <https://doi.org/10.1007/BF00854230>
- Moore W.H., Krimm S.: A complete general valence force field for secondary chlorides. Spectrochimica Acta Part A: Molecular Spectroscopy 1973, 29, 2025. <https://doi.org/10.1016/0584-8539(73)80061-3>
- Carles-Lorjou Micheline, Goursot-Leray Annick, Bodot Hubert, Gaufrès Robert: Interactions Intramoléculaires—XV. Spectres de vibration et isomérie de rotation d'une série de trichloro-1,1,1 halogóno-3 alcanes. Spectrochimica Acta Part A: Molecular Spectroscopy 1973, 29, 329. <https://doi.org/10.1016/0584-8539(73)80077-7>
- Štokr J., Pivcová H., Schneider B., Dirlikov S.: Conformational structure and vibrational and NMR spectra of simple mono-alkylbenzenes. Journal of Molecular Structure 1972, 12, 45. <https://doi.org/10.1016/0022-2860(72)85090-7>
- KřRíž J., Jakeš J.: Conformational structure of ethylbenzene and its correlation with semi-empirical mo-lcao calculations. Journal of Molecular Structure 1972, 12, 367. <https://doi.org/10.1016/0022-2860(72)87045-5>
- Štokr J., Dirlikov S., Obereigner B., Schneider B.: Simple method of calculating energy differences between conformational structures in compounds of the type (R1R2R3)C · CH2 · C(R4R5R6) with R = H, Cl or alkyl. Journal of Molecular Structure 1971, 8, 449. <https://doi.org/10.1016/0022-2860(71)80023-6>
- Goursot-Leray A., Bodot H.: Interactions intramoleculaires—XI. Tetrahedron 1971, 27, 2133. <https://doi.org/10.1016/S0040-4020(01)91612-6>
- Osipov B. N., �nglin B. A.: Stereodirection of the radical telomerization of propylene by carbon tetrachloride. Russ Chem Bull 1969, 18, 2276. <https://doi.org/10.1007/BF00906494>