Solvent-assisted conformational isomerization and the conformationally-pure REMPI spectrum of 3-aminophenol.
Solvent-assisted conformational isomerization and the conformationally-pure REMPI spectrum of 3-aminophenol.
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3-氨基苯酚的溶剂辅助构象异构化和构象纯 REMPI 谱。
DOI：
10.1039/c0cp02592e
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发表时间：
2011
期刊：
影响因子：
--
通讯作者：
Hyuk Kang
中科院分区：
文献类型：
--
作者：
W. Sohn;Minho Kim;Sang;Young Dong Park;Hyuk Kang
3-氨基酚（3AP）有顺式和反式两种构象，这取决于羟基相对于NH(2)基团的取向。虽然在3AP的射流冷却光谱中发现了这两种构象，但在3AP(nh3))(1)簇的REMPI光谱中只发现了反式异构体。结果表明，在超音速膨胀过程中，簇的顺式构象在基态异构为更稳定的反式构象。溶剂辅助构象异构化（SACI）被认为是驱动人口更稳定的反式异构体。3AP单体也发生SACI，当膨胀液中氨浓度高于0.1%时，其顺反比降低50%。根据膨胀条件的不同，顺式构象可以完全耗尽。当在膨胀过程中引入其他溶剂时，SACI只与某些结合能高于异构化势垒的溶剂发生。SACI可以作为制备气相生物分子最稳定的构象的手段。
3-Aminophenol (3AP) has two conformers, cis and trans, depending on the orientation of the OH group relative to the NH(2) group. While both conformers are found in the jet-cooled spectra of 3AP, only the trans isomer was found in the REMPI spectrum of the 3AP(NH(3))(1) cluster. It was suggested that the cis conformer of the cluster isomerizes to the more stable trans conformer in the ground state during supersonic expansion. Solvent-assisted conformational isomerization (SACI) is believed to drive the population into the more stable trans isomer. SACI also occurs for the 3AP monomer, reducing 50% of the cis/trans ratio when the ammonia concentration in the expansion is higher than 0.1%. Depending on the expansion condition, the cis conformer can be completely depleted. When other solvents were introduced in the expansion, SACI occurred with only certain solvents whose binding energy is higher than the isomerization barrier. SACI can be used as a means to prepare the most stable conformer of gas phase biomolecules.
影响因子：
3.3
作者：
Albrecht, Merwe;Borba, Ana;Zischang, Julia
通讯作者：
Zischang, Julia