Helical Compounds Forming Gas-Phase Dimers: A Dispersion-corrected Density Functional Investigation

Chiral discrimination is the ability to distinguish one enantiomeric form over another. The differential binding interaction between two molecules with the same helicity and those with the opposite helicity was investigated by using dispersion-corrected density functional theory. [5]helicene, tetrah...

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Published inBulletin of the Korean Chemical Society Vol. 32; no. 4; pp. 1231 - 1236
Main Authors Tongying, Pornthip, Sooksimuang, Thanasat, Tantirungrotechai, Yuthana
Format Journal Article
LanguageEnglish
Published 대한화학회 20.04.2011
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화학
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Abstract Chiral discrimination is the ability to distinguish one enantiomeric form over another. The differential binding interaction between two molecules with the same helicity and those with the opposite helicity was investigated by using dispersion-corrected density functional theory. [5]helicene, tetrahydro[5]helicene and the polar D-π-A compounds, 3,12-dimethoxy-7,8-dicyano-[5]helicene and 3,12-dimethoxy-7,8-dicyano-tetrahydro[5]helicene were the monomers considered in this study. In gas phase, the dimeric interaction from two helical molecules with the opposite handedness is greater than from those with the same handedness. The stable configurations of such dimers were identified. The most stable configuration tends to be the one with maximum contact between monomers. KCI Citation Count: 0
AbstractList Chiral discrimination is the ability to distinguish one enantiomeric form over another. The differential binding interaction between two molecules with the same helicity and those with the opposite helicity was investigated by using dispersion-corrected density functional theory. [5]helicene, tetrahydro[5]helicene and the polar D-π-A compounds, 3,12-dimethoxy-7,8-dicyano-[5]helicene and 3,12-dimethoxy-7,8-dicyano-tetrahydro[5]helicene were the monomers considered in this study. In gas phase, the dimeric interaction from two helical molecules with the opposite handedness is greater than from those with the same handedness. The stable configurations of such dimers were identified. The most stable configuration tends to be the one with maximum contact between monomers. KCI Citation Count: 0
Author Tantirungrotechai, Yuthana
Sooksimuang, Thanasat
Tongying, Pornthip
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Cites_doi 10.1080/00268977000101561
10.1021/ja0499748
10.1016/S0968-0896(02)00175-X
10.1063/1.1914766
10.1016/j.cplett.2004.06.011
10.1016/0301-0104(77)85124-0
10.1021/ar700111a
10.1039/b615319b
10.1002/anie.200301667
10.1021/jp806162t
10.1002/anie.200903281
10.1039/b713700a
10.1002/1521-3773(20000602)39:11<1921::AID-ANIE1921>3.0.CO;2-F
10.1021/jo0506231
10.1021/jp066479k
10.1002/jcc.20078
10.1002/jcc.20495
10.1063/1.2805395
10.1016/j.tet.2005.09.132
10.1021/ct800246v
10.1021/ol006366y
10.1016/S0009-2614(98)00862-8
10.1016/j.tetasy.2010.05.032
10.1016/j.synthmet.2010.02.039
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References key-10.5012/bkcs.2011.32.4.1231-30
key-10.5012/bkcs.2011.32.4.1231-9
key-10.5012/bkcs.2011.32.4.1231-16
key-10.5012/bkcs.2011.32.4.1231-27
key-10.5012/bkcs.2011.32.4.1231-38
key-10.5012/bkcs.2011.32.4.1231-8
key-10.5012/bkcs.2011.32.4.1231-15
key-10.5012/bkcs.2011.32.4.1231-26
key-10.5012/bkcs.2011.32.4.1231-7
key-10.5012/bkcs.2011.32.4.1231-14
key-10.5012/bkcs.2011.32.4.1231-25
key-10.5012/bkcs.2011.32.4.1231-36
key-10.5012/bkcs.2011.32.4.1231-6
key-10.5012/bkcs.2011.32.4.1231-13
key-10.5012/bkcs.2011.32.4.1231-24
key-10.5012/bkcs.2011.32.4.1231-23
key-10.5012/bkcs.2011.32.4.1231-11
key-10.5012/bkcs.2011.32.4.1231-22
key-10.5012/bkcs.2011.32.4.1231-33
key-10.5012/bkcs.2011.32.4.1231-20
key-10.5012/bkcs.2011.32.4.1231-31
key-10.5012/bkcs.2011.32.4.1231-19
key-10.5012/bkcs.2011.32.4.1231-28
key-10.5012/bkcs.2011.32.4.1231-39
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  doi: 10.1080/00268977000101561
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  doi: 10.1021/ja0499748
– ident: key-10.5012/bkcs.2011.32.4.1231-33
  doi: 10.1016/S0968-0896(02)00175-X
– ident: key-10.5012/bkcs.2011.32.4.1231-11
  doi: 10.1063/1.1914766
– ident: key-10.5012/bkcs.2011.32.4.1231-20
  doi: 10.1016/j.cplett.2004.06.011
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  doi: 10.1016/0301-0104(77)85124-0
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  doi: 10.1021/ar700111a
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  doi: 10.1039/b615319b
– ident: key-10.5012/bkcs.2011.32.4.1231-15
  doi: 10.1002/anie.200301667
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  doi: 10.1021/jp806162t
– ident: key-10.5012/bkcs.2011.32.4.1231-31
  doi: 10.1002/anie.200903281
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  doi: 10.1039/b713700a
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  doi: 10.1002/1521-3773(20000602)39:11<1921::AID-ANIE1921>3.0.CO;2-F
– ident: key-10.5012/bkcs.2011.32.4.1231-8
  doi: 10.1021/jo0506231
– ident: key-10.5012/bkcs.2011.32.4.1231-19
  doi: 10.1021/jp066479k
– ident: key-10.5012/bkcs.2011.32.4.1231-25
  doi: 10.1002/jcc.20078
– ident: key-10.5012/bkcs.2011.32.4.1231-26
  doi: 10.1002/jcc.20495
– ident: key-10.5012/bkcs.2011.32.4.1231-9
  doi: 10.1063/1.2805395
– ident: key-10.5012/bkcs.2011.32.4.1231-14
  doi: 10.1016/j.tet.2005.09.132
– ident: key-10.5012/bkcs.2011.32.4.1231-23
  doi: 10.1021/ct800246v
– ident: key-10.5012/bkcs.2011.32.4.1231-30
  doi: 10.1021/ol006366y
– ident: key-10.5012/bkcs.2011.32.4.1231-36
  doi: 10.1016/S0009-2614(98)00862-8
– ident: key-10.5012/bkcs.2011.32.4.1231-13
  doi: 10.1016/j.tetasy.2010.05.032
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