Structure determination of trans-cinnamaldehyde by broadband microwave spectroscopy
文献信息
The rotational spectrum of trans-cinnamaldehyde ((E)-3-phenyl-2-propenal, C9H8O) was recorded by chirped-pulse Fourier transform microwave spectroscopy in the frequency range of 2–8.5 GHz. The odourant molecule is the essential component of cinnamon oil and causes the characteristic smell. The rotational signatures of two conformers were observed: s-trans–trans- and s-cis–trans-cinnamaldehyde. The rotational spectra of s-trans–trans-cinnamaldehyde and all of its 13C-monosubstituted species in natural abundance were assigned and the corresponding carbon backbone structure was determined. The second conformer s-cis–trans-cinnamaldehyde is about 9 kJ mol−1 higher in energy and could also be identified in the spectrum.
相关文献
Constructing organic superacids from superhalogens is a rational route as verified by DFT calculations
Fu-Qiang Zhou, Ru-Fang Zhao, Jin-Feng Li, Wen-Hua Xu, Chao-Chao Li, Lan Luo, Jian-Li Li, Bing Yin
DOI: 10.1039/C8CP07313A
Influence of Cu adatoms on the molecular assembly of 4,4′-bipyridine on Cu(111)
M.-A. Dubois, O. Guillermet, S. Gauthier, G. Zhan, Y. Makoudi, F. Palmino, X. Bouju, A. Rochefort
DOI: 10.1039/C8CP01184B
Enhancement of field electron emission in topological insulator Bi2Se3 by Ni doping
Kushal Mazumder, Alfa Sharma, Yogendra Kumar, Mahendra A. More, Rupesh Devan
DOI: 10.1039/C8CP01982G
Detection of simple inorganic and organic molecules over Cu-decorated circumcoronene: a combined DFT and QTAIM study
Lukáš Bučinský, Filipe Teixeira, M. Natália D. S. Cordeiro
DOI: 10.1039/C8CP02035C
Magnetic properties of nanoparticles as a function of their spatial distribution on liposomes and cells
Maria Eugenia Fortes Brollo, Patricia Hernández Flores, Lucía Gutiérrez, Christer Johansson, Domingo Francisco Barber, María del Puerto Morales
DOI: 10.1039/C8CP03016B
Electrocatalytic studies on imidazolium based ionic liquids: defining experimental conditions
Miguel A. Montiel, José Solla-Gullón, Vicente Montiel, Carlos M. Sánchez-Sánchez
DOI: 10.1039/C8CP02662A
Charge-induced structural transition between seashell-like B29− and B29+ in 18 π-electron configurations
Hai-Ru Li, Miao Yan, Qiang Chen, Yue-Wen Mu, Hai-Gang Lu, Yan-Bo Wu, Si-Dian Li
DOI: 10.1039/C8CP01078A
Effect of oscillation dynamics on long-range electron transfer in a helical peptide monolayer
Daisuke Matsushita, Hirotaka Uji, Shunsaku Kimura
DOI: 10.1039/C8CP02315H
Lithium doped tubular structure in LiB20 and LiB20−: a viable global minimum
Wei-yan Liang, Anita Das, Xue Dong, Zhong-hua Cui
DOI: 10.1039/C8CP01376D
您可能还喜欢
N-2,2-丙烯基-2-丙烯酰胺(CAS号:2555-13-7)通常如何合成?
N-2,2-丙烯基-2-丙烯酰胺通常通过丙烯酰胺与丙烯基卤化物的缩合反应合成。该反应通常在温和的条件下进行,使用适量的碱如吡啶作为催化剂。反应的选择性良好,产率...
什么是1,2-二碘四氟代乙烷(CAS号:354-65-4)?
1,2-二碘四氟代乙烷是一种有机化合物,化学式为C2F4I2,CAS号为354-65-4。它是一种无色透明液体,具有特殊的化学性质和物理性质,包括高沸点、低挥发...
3-溴-1H-吡咯[3,2-c]吡啶-4-碳腈(CAS号:1000341-71-8)适用哪些法规指南?
根据GHS(全球化学品统一分类和标签制度),3-溴-1H-吡咯[3,2-c]吡啶-4-碳腈被归类为第2类易燃液体。在欧盟,该化合物需要符合REACH法规的要求,...
1-氯甲基萘磺酸(CAS号:87491-79-0)安全吗?
1-氯甲基萘磺酸在使用时需要谨慎,因为它具有一定的刺激性和腐蚀性。操作时应佩戴适当的防护装备,如防化服、手套、护目镜等,避免直接接触皮肤和吸入其蒸汽。
二氯(二环戊二烯)铂(CAS号:12083-92-0)的主要用途是什么?
该化合物主要用于催化剂领域,特别是在有机合成中的催化氧化反应以及作为某些药物合成的中间体。此外,它还被研究用于纳米材料的制备。
3-溴-7-氯噻吩并[3,2-b]吡啶-6-甲腈(CAS号:798574-82-0)安全吗?
3-溴-7-氯噻吩并[3,2-b]吡啶-6-甲腈在处理时需要谨慎,因其含有溴和氯等强卤素,可能具有一定的刺激性和腐蚀性。使用时应佩戴适当的个人防护装备,避免皮肤...
(R)-1-((R)-2-(2’-二环己基膦苯基)三戊铁基]乙基(双-3,5-三氟甲基苯基)膦(CAS号:494227-32-6)的主要用途是什么?
该化合物主要用于有机合成领域,特别是作为催化剂或配体,在有机合成反应中发挥重要作用。此外,它还可能应用于催化加氢反应、偶联反应等。
3-[6-(Diphenylphosphoryl)-2-naphthyl]-1,10-phenanthroline(CAS号:1480371-38-7)安全吗?
3-[6-(Diphenylphosphoryl)-2-naphthyl]-1,10-phenanthroline在正常使用条件下相对安全,但在操作时应穿戴适当...
在合成中是否有ETHYL 2-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)CYCLOHEX-3-ENYL)ACETATE(CAS号:1166829-70-4)的替代品?
可以考虑使用类似结构的化合物作为替代品,如2-(4-环戊基环己烯基)乙酸酯,这种化合物在结构上相似,可能在某些合成路径中作为替代品。
如何处理含有3-(3-氨基丙基)丙酮缩甘油(CAS号:131606-42-3)的废料?
处理含有3-(3-氨基丙基)丙酮缩甘油的废料时,首先应确保遵守当地的环保法规。对于危险废物,应进行分类收集,然后送至专业的废物处理设施进行焚烧或安全填埋。在处理...
来源期刊
Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.













![3-[(3R,4R)-3-[(6-aminopyrimidin-4-yl)-methyl-amino]-4-methyl-1-piperidyl]-3-oxo-propanenitrile structure 3-[(3R,4R)-3-[(6-aminopyrimidin-4-yl)-methyl-amino]-4-methyl-1-piperidyl]-3-oxo-propanenitrile structure](https://cnstatic.chemtradehub.com/structs/164/1640971-60-3-83a4.webp)
