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Volumn 137, Issue 11, 2015, Pages 3924-3932

Dipole-Moment-Driven Cooperative Supramolecular Polymerization

Author keywords

[No Author keywords available]

Indexed keywords

CARBONATION; CONJUGATED POLYMERS; DIPOLE MOMENT; ELECTRIC DIPOLE MOMENTS; MOLECULAR DYNAMICS; MOLECULES; POLYMERS; SUPRAMOLECULAR CHEMISTRY;

EID: 84926193474     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/jacs.5b00504     Document Type: Article
Times cited : (113)

References (75)
  • 49
    • 84926227186 scopus 로고    scopus 로고
    • note
    • Chloroformates were either obtained from commercial source or synthesized by the chloroformylation of the corresponding alcohols using triphosgene following the reported procedure. See SI for details.
  • 56
    • 84926163869 scopus 로고    scopus 로고
    • note
    • Although 1 is completely soluble in MCH, the aggregates could not be disassembled with increase in temperature. Thus, to control the extent of self-assembly such that diassembly could be achieved, a fraction of good solvent (TCE) was used.
  • 57
    • 84926227946 scopus 로고    scopus 로고
    • note
    • The data are not shown. Also, a systematic study of the variation of CD spectra as a function of cooling rate and aging is beyond the scope of this work and will be investigated in detail as a separate work.
  • 63
    • 84926141258 scopus 로고    scopus 로고
    • note
    • Because of the low solubility and the presence of multiple stereocenters in 3, reliable CD spectra (under thermodynamic control) could not be achieved; thus, temperature-dependent UV/vis studies were performed.
  • 64
    • 84926180303 scopus 로고    scopus 로고
    • note
    • The isodesmic fits to the cooling curves for 3 and 4 show slight deviations from the experimental data. Since these cooling curves are obtained from UV/vis studies, the deviation could be due to the small change in absorbance at the monitored wavelength. The fit is sub-isodesmic in the case of 3; thus, this molecule can be weakly cooperative, which adds further to the deviation from the fit.
  • 71
    • 84926160856 scopus 로고    scopus 로고
    • note
    • MD simulations were not performed for 2 because of its structural similarity to molecule 1.
  • 74
    • 84926227307 scopus 로고    scopus 로고
    • note
    • The average dipole moment per molecule obtained from bulk dielectric measurements for molecules 1, 3, and 4 is 3.4, 0.7, and 0.5 D, respectively (see SI for details of calculation). The macro-dipole moment obtained from MD simulation was divided by 40 (oligomer size) to obtain the dipole moment per molecule; dipole moments from simulations for 1, 3, and 4 are 0.36, 0.05, and 0.03 D, respectively.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.