Relativistic effects in triphenylbismuth and their influence on molecular structure and spectroscopic properties
文献信息
Raphael J. F. Berger, Daniel Rettenwander, Stefan Spirk, Christian Wolf, Michael Patzschke, Martin Ertl, Uwe Monkowius, Norbert W. Mitzel
Relativistic effects in triphenylbismuth have been investigated using a combined experimental and theoretical approach. The influence of these effects on the molecular structure (determined by gas electron diffraction) has been evaluated by means of quantum chemical calculations which consider scalar-relativistic and relativistic effects causing electronic spin–orbit coupling. Besides the molecular structure, different types of spectroscopic techniques (IR, NMR, UV-vis) have been applied and their results have been set in contrast with the results derived from quantum chemical calculations.
相关文献
Photophysical properties of pyrrolocytosine, a cytosine fluorescent base analogue
Quynh L. Nguyen, Vincent A. Spata, Spiridoula Matsika
DOI: 10.1039/C6CP01559J
Effects of substituents on fluorometric detection of cyanide anions by indolium–coumarin dyads
Masaya Nakamura, Takayuki Hirai
DOI: 10.1039/C5CP03877D
Concave or convex π-dimers: the role of the pancake bond in substituted phenalenyl radical dimers
Zhong-hua Cui, Abhinav Gupta, Miklos Kertesz
DOI: 10.1039/C5CP03759J
Flexible band gap tuning of hexagonal boron nitride sheets interconnected by acetylenic bonds
Hongyu Zhang, Youhua Luo, Xiaojuan Feng, Lixia Zhao, Meng Zhang
DOI: 10.1039/C5CP02346G
A molecular theory for optimal blue energy extraction by electrical double layer expansion
Alejandro Gallegos, Diannan Lu, Zheng Liu, Jianzhong Wu
DOI: 10.1039/C5CP03514G
THz time-domain spectroscopy of mixed CO2–CH3OH interstellar ice analogs
DOI: 10.1039/C6CP00632A
Aqueous biphasic systems composed of ionic liquids and polypropylene glycol: insights into their liquid–liquid demixing mechanisms
Catarina M. S. S. Neves, Jesus Lemus, Jorge F. B. Pereira, Mara G. Freire, João A. P. Coutinho
DOI: 10.1039/C6CP04023C
Acetylene as an essential building block for prebiotic formation of pyrimidine bases on Titan
Yassin A. Jeilani, Chelesa Fearce, Minh Tho Nguyen
DOI: 10.1039/C5CP03247D
Ion segregation in an ionic liquid confined within chitosan based chemical ionogels
A. Guyomard-Lack, N. Buchtová, B. Humbert, J. Le Bideau
DOI: 10.1039/C5CP04198H
Study of switching in spin transition compounds within the mechanoelastic model with realistic parameters
Cristian Enachescu, Andreas Hauser
DOI: 10.1039/C6CP02806C
您可能还喜欢
如何储存8-溴-4-羟基-6-(三氟甲氧基)喹啉-3-羧酸乙酯(CAS号:1072944-81-0)?
8-溴-4-羟基-6-(三氟甲氧基)喹啉-3-羧酸乙酯应储存在阴凉、干燥的地方,避免光照和高温。建议使用密封容器进行储存,以防止水分和空气的影响。
2,2-二(2-呋喃基)丙烷(CAS号:17920-88-6)的市场或研究趋势如何?
2,2-二(2-呋喃基)丙烷的研究趋势主要集中在新型材料的开发和应用,如高分子材料、有机光电材料等。市场趋势方面,随着环保要求的提高和新材料的应用,该化合物的需...
如何处理含有螺[呋喃并[3,4-b]吡啶-5(7H),4'-哌啶]-7-酮盐酸盐(CAS号:475152-31-9)的废料?
对于含有螺[呋喃并[3,4-b]吡啶-5(7H),4'-哌啶]-7-酮盐酸盐的废料,应首先进行分类和分离,以减少危险物质的数量。随后,可以考虑通过化学氧化、生物...
Cinnamyl 3-aminobut-2-enoate(CAS号:113898-97-8)安全吗?
Cinnamyl 3-氨基丁-2-烯酸在接触皮肤和眼睛时可能会引起刺激。应避免吸入其粉尘和烟雾。操作时应穿戴适当的个人防护装备,如手套、护目镜和实验室外套。
反式-2-十二碳烯二酸(CAS号:6402-36-4)的市场或研究趋势如何?
反式-2-十二碳烯二酸在医药、材料科学等领域有一定的应用,但其市场相对较小。近年来,由于环保意识的提升,对环境友好型化学品的需求增加,研究倾向于开发更绿色的合成...
什么是(9ci)-1H-苯并咪唑-5-乙酸(CAS号:473895-86-2)?
(9ci)-1H-苯并咪唑-5-乙酸是一种含氮杂环化合物,其化学结构为1H-苯并咪唑-5-乙酸。该化合物具有特定的分子式C8H7NO2,属于有机酸类化合物。
酞菁蓝(CAS号:147-14-8)的主要用途是什么?
酞菁蓝主要用作颜料和染料,广泛应用于塑料、油墨、涂料、纺织品及橡胶工业中。它也用于光敏材料,如太阳能电池和光刻胶。在医疗领域,酞菁蓝因其光敏特性被用于某些光动力...
5-甲基-1,2,3,4-四氢异喹啉(CAS号:123593-99-7)安全吗?
5-甲基-1,2,3,4-四氢异喹啉在使用和储存时需要谨慎处理。它具有一定的毒性,应避免吸入其蒸气或直接接触皮肤和眼睛。操作此化合物时,建议佩戴防护眼镜、实验服...
如何处理含有3',4',5'-三甲氧基苯乙酮(CAS号:1136-86-3)的废料?
含有3',4',5'-三甲氧基苯乙酮的废液应首先确保其是否为危险废物,根据当地法规确定处理方法。通常,这类有机废液可以采用中和反应降低其pH值,然后通过蒸馏或萃...
如何储存KI-7(CAS号:1489263-00-4)?
KI-7应储存在通风良好的干燥环境中,避免光照和高温。建议使用密封容器储存,并保持在阴凉处。储存温度应控制在室温范围内,一般建议不超过25°C。避免与氧化剂接触...
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.














![N-{3-[Benzyl(methyl)amino]propyl}-9-chloro-5,6,7,8-tetrahydro-2-acridinecarboxamide structure N-{3-[Benzyl(methyl)amino]propyl}-9-chloro-5,6,7,8-tetrahydro-2-acridinecarboxamide structure](https://cnstatic.chemtradehub.com/structs/142/1426944-49-1-1e4c.webp)