Abstract
We measured crystalline (C-form) saturated fatty acids with even carbon numbers ranging from 12 to 20 using temperature dependent terahertz time-domain spectroscopy (THz-TDS). Absorption features between 0.5 and 3 THz were identified at temperatures from 96 K to 293 K, and a systematic red-shift was obvserved with the increasing carbon chain length. The origins of these absorption bands were uncovered using state-of-the-art ab initio density functional theory (DFT) calculations. Similar vibrational motions in the absorption bands of the different materials highlight the unique role that THz-TDS has for probing weak non-covalent interactions in these materials. Our results showcase the utility of the terahertz region, which is beyond the scope of related vibrational techniques, providing direct evidence of the effect of chain length on the intermolecular interactions of these molecules.
| Original language | English |
|---|---|
| Pages (from-to) | 3670-3673 |
| Number of pages | 4 |
| Journal | Chemical Communications |
| Volume | 55 |
| Issue number | 25 |
| DOIs | |
| Publication status | Published - 28 Mar 2019 |
Cite this
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Correlation between saturated fatty acid chain-length and intermolecular forces determined with terahertz spectroscopy. / Fan, Shuting; Ruggiero, Michael T.; Song, Zihui; Qian, Zhengfang; Wallace, Vincent P.
In: Chemical Communications, Vol. 55, No. 25, 28.03.2019, p. 3670-3673.Research output: Contribution to journal › Article
TY - JOUR
T1 - Correlation between saturated fatty acid chain-length and intermolecular forces determined with terahertz spectroscopy
AU - Fan, Shuting
AU - Ruggiero, Michael T.
AU - Song, Zihui
AU - Qian, Zhengfang
AU - Wallace, Vincent P.
PY - 2019/3/28
Y1 - 2019/3/28
N2 - We measured crystalline (C-form) saturated fatty acids with even carbon numbers ranging from 12 to 20 using temperature dependent terahertz time-domain spectroscopy (THz-TDS). Absorption features between 0.5 and 3 THz were identified at temperatures from 96 K to 293 K, and a systematic red-shift was obvserved with the increasing carbon chain length. The origins of these absorption bands were uncovered using state-of-the-art ab initio density functional theory (DFT) calculations. Similar vibrational motions in the absorption bands of the different materials highlight the unique role that THz-TDS has for probing weak non-covalent interactions in these materials. Our results showcase the utility of the terahertz region, which is beyond the scope of related vibrational techniques, providing direct evidence of the effect of chain length on the intermolecular interactions of these molecules.
AB - We measured crystalline (C-form) saturated fatty acids with even carbon numbers ranging from 12 to 20 using temperature dependent terahertz time-domain spectroscopy (THz-TDS). Absorption features between 0.5 and 3 THz were identified at temperatures from 96 K to 293 K, and a systematic red-shift was obvserved with the increasing carbon chain length. The origins of these absorption bands were uncovered using state-of-the-art ab initio density functional theory (DFT) calculations. Similar vibrational motions in the absorption bands of the different materials highlight the unique role that THz-TDS has for probing weak non-covalent interactions in these materials. Our results showcase the utility of the terahertz region, which is beyond the scope of related vibrational techniques, providing direct evidence of the effect of chain length on the intermolecular interactions of these molecules.
KW - DENSITY-FUNCTIONAL THEORY
KW - SPECTRA
KW - ORGANIZATION
KW - FREQUENCIES
KW - DYNAMICS
U2 - 10.1039/c9cc00141g
DO - 10.1039/c9cc00141g
M3 - Article
VL - 55
SP - 3670
EP - 3673
JO - Chemical Communications, 2000
JF - Chemical Communications, 2000
SN - 1359-7345
IS - 25
ER -