Journal
JOURNAL OF PHYSICAL CHEMISTRY B
Volume 116, Issue 1, Pages 9-21Publisher
AMER CHEMICAL SOC
DOI: 10.1021/jp205033c
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Funding
- Fundacao para a Ciencia e Tecnologia [SFRH/BPD/22410/2005, SFRH/BD/42245/2007]
- PORTUGAL (FCT)/ARGENTINA [(SECyT)-PO/07/006]
- COMPETE [FCT-PTDC/QUI/71203/2006]
- FEDER [FCT-PTDC/QUI/119879/2009]
- Fundação para a Ciência e a Tecnologia [SFRH/BPD/22410/2005, SFRH/BD/42245/2007] Funding Source: FCT
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L-Lactic acid (L-LA) oligomers (up to the pentamer) were studied by three complementary approaches: vibrational (IR and Raman) and NMR (H-1 and C-13) spectroscopies and DFT calculations. Vibrational and NMR spectra of L-LA oligomers and poly(L-lactic acid) (PLLA) homopolymer were recorded at room temperature and interpreted. Further insight into the structures (conformations) of the title systems was provided by theoretical B3LYP/6-311++G(d,p) studies. Calculated energies and computed vibrational and NMR spectra of the most stable conformers of L-LA oligomers, together with the experimental vibrational and NMR spectra, enabled the characterization of the preferred conformations adopted by PLLA chains.
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