The increased Diels–Alder reactivity of umpolung tropone: analysis of individual atoms and bonds using QTAIM and IQA along complete IRC paths.

Authors: Richter, Wagner Eduardo¹ (AUTHOR) richter@utfpr.edu.br

Source: Journal of Physical Organic Chemistry. Jul2024, Vol. 37 Issue 7, p1-12. 12p.

Subject Terms: *DIELS-Alder reaction, *FRONTIER orbitals, *ATOMS in molecules theory, *UMPOLUNG, *MOLECULAR orbitals, *ATOMS

Novel Bicyclic P , S -Heterocycles via Stereoselective hetero -Diels–Alder Reactions of Thiochalcones with 1-Phenyl-4 H -phosphinin-4-one 1-Oxide †.

Authors: Mlostoń, Grzegorz¹ (AUTHOR) grzegorz.mloston@chemia.uni.lodz.pl, Urbaniak, Katarzyna¹ (AUTHOR), Palusiak, Marcin² (AUTHOR) marcin.palusiak@chemia.uni.lodz.pl, Łastawiecka, Elżbieta³ (AUTHOR) elzbieta.lastawiecka@mail.umcs.pl, Frynas, Sławomir³ (AUTHOR) slawomir.frynaslas@mail.umcs.pl, Pietrusiewicz, Kazimierz Michał³ (AUTHOR) grzegorz.mloston@chemia.uni.lodz.pl, Heimgartner, Heinz⁴ (AUTHOR) heinz.heimgartner@chem.uzh.ch

Source: Molecules. May2024, Vol. 29 Issue 9, p2036. 13p.

Subject Terms: *DIELS-Alder reaction, *RING formation (Chemistry), *THIOPYRAN, *PHOSPHINE oxides, *PYRAN derivatives, *PHOSPHORINE, *X-rays, *AXIOMS

Room Temperature Diels–Alder Reactions of 4-Vinylimidazoles.

Authors: Fulton, Brandon B.¹ (AUTHOR), Hartzell, Alexia J.¹ (AUTHOR), Dias, H. V. Rasika¹ (AUTHOR), Lovely, Carl J.¹ (AUTHOR) lovely@uta.edu

Source: Molecules. Apr2024, Vol. 29 Issue 8, p1902. 13p.

Subject Terms: *DIELS-Alder reaction, *HIGH temperatures, *LOW temperatures, *DENSITY functional theory, *TEMPERATURE, *RING formation (Chemistry)

The variational quantum eigensolver self-consistent field method within a polarizable embedded framework.

Authors: Kjellgren, Erik Rosendahl¹ (AUTHOR) kjellgren@sdu.dk, Reinholdt, Peter¹ (AUTHOR), Fitzpatrick, Aaron² (AUTHOR), Talarico, Walter N.^2,3 (AUTHOR), Jensen, Phillip W. K.⁴ (AUTHOR), Sauer, Stephan P. A.⁴ (AUTHOR), Coriani, Sonia⁵ (AUTHOR), Knecht, Stefan^2,6 (AUTHOR), Kongsted, Jacob¹ (AUTHOR)

Source: Journal of Chemical Physics. 3/28/2024, Vol. 160 Issue 12, p1-8. 8p.

Subject Terms: *SELF-consistent field theory, *DIELS-Alder reaction, *CHEMICAL systems, *CHEMICAL models, *QUANTUM computing

Progress in Lewis-Acid-Templated Diels–Alder Reactions.

Authors: Ishihara, Jun¹ (AUTHOR) jishi@nagasaki-u.ac.jp

Source: Molecules. Mar2024, Vol. 29 Issue 5, p1187. 23p.

Subject Terms: *DIELS-Alder reaction, *NATURAL products, *BIOACTIVE compounds, *FUNCTIONAL groups

The Diels–Alder Reaction between Euparin and Dimethyl Acetylenedicarboxylate; a Joint Experimental and Density Functional Theory Study.

Authors: Dastoorani, Parvaneh¹ (AUTHOR), Khalilzadeh, Mohammad A.² (AUTHOR) khalilzadeh73@gmail.com, Khaleghi, Fatemeh³ (AUTHOR), Maghsoodlou, Malek Taher¹ (AUTHOR), Zardoost, Mohammad Reza² (AUTHOR), Siadati, Seyyed Amir² (AUTHOR) chemistry_2021@yahoo.com

Source: Polycyclic Aromatic Compounds. 2024, Vol. 44 Issue 3, p2077-2089. 13p.

Subject Terms: *DENSITY functional theory, *DIELS-Alder reaction, *POTENTIAL energy surfaces, *ETHANES, *FURAN derivatives

Kinetic Study of the Diels–Alder Reaction between Maleimide and Furan-Containing Polystyrene Using Infrared Spectroscopy.

Authors: Wang, Tongtong¹ (AUTHOR), Gao, Dali² (AUTHOR) gaodl.bjhy@sinopec.com, Yin, Hua² (AUTHOR), Zhao, Jiawei² (AUTHOR), Wang, Xingguo² (AUTHOR), Niu, Hui¹ (AUTHOR) gaodl.bjhy@sinopec.com

Source: Polymers (20734360). Feb2024, Vol. 16 Issue 3, p441. 16p.

Subject Terms: *INFRARED spectroscopy, *DIELS-Alder reaction, *POLYSTYRENE, *POLYMER solutions, *CHEMICAL kinetics

Polyurethane Adhesives with Chemically Debondable Properties via Diels–Alder Bonds.

Authors: Carbonell-Blasco, María Pilar¹ (AUTHOR) amoyano@inescop.es, Moyano, María Alejandra¹ (AUTHOR) chernandez@inescop.es, Hernández-Fernández, Carlota¹ (AUTHOR) aran@inescop.es, Sierra-Molero, Francisco J.² (AUTHOR) francisco.sierra@ua.es, Pastor, Isidro M.² (AUTHOR) ipastor@ua.es, Alonso, Diego A.² (AUTHOR) diego.alonso@ua.es, Arán-Aís, Francisca¹ (AUTHOR) eorgiles@inescop.es, Orgilés-Calpena, Elena¹ (AUTHOR)

Source: Polymers (20734360). Jan2024, Vol. 16 Issue 1, p21. 17p.

Subject Terms: *DIELS-Alder reaction, *NUCLEAR magnetic resonance spectroscopy, *ADHESIVES, *POLYURETHANES, *ADHESIVE joints, *DIFFERENTIAL scanning calorimetry

High pressure, temperature, and solvent effect on the Diels–Alder cycloaddition reaction between thiobenzophenone and cyclopentadiene.

Authors: Kornilov, Dmitry A.¹ (AUTHOR) Dima_himik2@mail.ru, Kornilova, Aliya A.¹ (AUTHOR), Shulyatiev, Alexey A.² (AUTHOR), Anikin, Oleg V.² (AUTHOR), Mustafin, Akhat G.¹ (AUTHOR)

Source: International Journal of Chemical Kinetics. Dec2023, Vol. 55 Issue 12, p776-784. 9p.

Subject Terms: *DIELS-Alder reaction, *CYCLOPENTADIENE, *STERIC hindrance, *HYDROSTATIC pressure, *RING formation (Chemistry), *SOLVENTS, *TEMPERATURE

Study on Diels–Alder reaction of nitrosoalkenes.

Authors: Tang, Xiaoxiao¹ (AUTHOR), Lu, Baozhao¹ (AUTHOR), Chen, Yu¹ (AUTHOR), Wang, Jiexue² (AUTHOR), Jin, Liming³ (AUTHOR), Yang, Hongjun¹ (AUTHOR) yanghj@swun.edu.cn

Source: Chemistry of Heterocyclic Compounds. Dec2023, Vol. 59 Issue 11/12, p811-815. 5p.

Subject Terms: *DIELS-Alder reaction, *HETEROCYCLIC compounds, *OXAZINES, *OXIME derivatives, *ALKENES

Synthesis of cyclodextrin dimers via Diels–Alder reaction.

Authors: Miyagawa, Atsushi¹ (AUTHOR), Hasegawa, Takuya¹ (AUTHOR), Yamamura, Hatsuo¹ (AUTHOR)

Source: Synthetic Communications. 2023, Vol. 53 Issue 22, p1878-1885. 8p.

Subject Terms: *DIMERIZATION, *DIELS-Alder reaction, *MOLECULAR capsules, *CYCLODEXTRINS, *BINDING constant, *CHEMICAL yield, *NUCLEAR magnetic resonance spectroscopy, *DIMERS

A Simple Entry to the 5,8-Disubstituted Indolizidine Skeleton via Hetero Diels-Alder Reaction.

Authors: Rodríguez-Caro, Juan Francisco¹ (AUTHOR) jfrodcaro@gmail.com, Afonso, María M.¹ (AUTHOR) mmafonso@ull.edu.es, Palenzuela, José Antonio¹ (AUTHOR) mmafonso@ull.edu.es

Source: Molecules. Nov2023, Vol. 28 Issue 21, p7316. 13p.

Subject Terms: *DIELS-Alder reaction, *NICOTINIC receptors, *INDOLIZIDINES, *DIOLEFINS, *AMPHIBIANS

Substrate-Controlled Diversity-Oriented Synthesis of Novel Polycyclic Frameworks via [4 + 2] and [3 + 2] Annulations of Ninhydrin-Derived MBH Adducts with 3,4-Dihydroisoquinolines.

Authors: Wang, Kaikai¹ (AUTHOR) wangkaikai@xxu.edu.cn, Zhou, Wenwen¹ (AUTHOR) h200011250107@163.com, Jia, Jun² (AUTHOR) beyond-868@163.com, Ye, Junwei¹ (AUTHOR) y2559356242@126.com, Yuan, Mengxin¹ (AUTHOR) 13333806426@163.com, Yang, Jie³ (AUTHOR) yangjie19881127@126.com, Qi, Yonghua¹ (AUTHOR) qyh@xxu.edu.cn, Chen, Rongxiang¹ (AUTHOR) yangjie19881127@126.com

Source: Molecules. Oct2023, Vol. 28 Issue 19, p6761. 17p.

Subject Terms: *ANNULATION, *DIELS-Alder reaction, *HYDROXYL group, *ISOQUINOLINE, *CHEMICAL structure, *X-ray diffraction

Exploring the Mechanism of the Intramolecular Diels–Alder Reaction of (2 E ,4 Z ,6 Z)-2(allyloxy)cycloocta-2,4,6-trien-1-one Using Bonding Evolution Theory.

Authors: Adjieufack, Abel Idrice^1,2,3 (AUTHOR) adjieufack21@gmail.com, Ongagna, Jean Moto⁴ (AUTHOR) jean.monfils@yahoo.fr, Essomba, Jean Serge² (AUTHOR), Ewonkem, Monique Bassomo⁴ (AUTHOR) myewon@gmail.com, Oliva, Mónica⁵ (AUTHOR) oliva@uji.es, Safont, Vicent Sixte⁵ (AUTHOR) safont@uji.es, Andrés, Juan⁵ (AUTHOR) adjieufack21@gmail.com

Source: Molecules. Oct2023, Vol. 28 Issue 19, p6755. 17p.

Subject Terms: *DIELS-Alder reaction, *POTENTIAL energy surfaces, *ELECTRON density, *POPULATION transfers, *PATH analysis (Statistics), *DENSITY functional theory

Evidence through Thermal Analysis of Retro Diels-Alder Reaction in Model Networks Based on Anthracene Modified Polyester Resins.

Authors: Ionita, Daniela¹ (AUTHOR) ionita.daniela@icmpp.ro, Cristea, Mariana¹ (AUTHOR) mcristea@icmpp.ro, Gaina, Constantin¹ (AUTHOR), Silion, Mihaela¹ (AUTHOR), Simionescu, Bogdan C.¹ (AUTHOR)

Source: Polymers (20734360). Oct2023, Vol. 15 Issue 19, p4028. 14p.

Subject Terms: *DIELS-Alder reaction, *THERMAL analysis, *ANTHRACENE, *POLYESTERS, *BISPHENOL A, *GLASS transitions

A Molecular Electron Density Theory Study of the Polar Diels-Alder Reaction of Naphtoquinone:Cr(CO)3 Complex with Cyclic Dienes.

Authors: Domingo, Luis R.¹ (AUTHOR), Aurell, María José¹ (AUTHOR), Ríos-Gutiérrez, Mar¹ (AUTHOR) m.mar.rios@uv.es

Source: Polycyclic Aromatic Compounds. 2023, Vol. 43 Issue 9, p8065-8081. 17p.

Subject Terms: *ELECTRON density, *DIELS-Alder reaction, *DIOLEFINS, *ELECTROPHILES, *ACTIVATION energy

Electric chemistry.

Authors: Gege Li

Source: New Scientist. 8/15/2020, Vol. 247 Issue 3295, p44-47. 4p. 5 Color Photographs.

Subjects: CHEMICAL synthesis, ELECTRIC fields, SHAIK, Sason, ATOMIC nucleus, DIELS-Alder reaction

An unexpected isomerisation of Isoquinuclidines.

Authors: Moura, Rebeca G.¹ (AUTHOR), Batista, Patrick R.¹ (AUTHOR), Ducati, Lucas C.¹ (AUTHOR), Yamaguchi, Lydia F.¹ (AUTHOR), Marzorati, Liliana¹ (AUTHOR) lmarzora@iq.usp.br

Source: Journal of Physical Organic Chemistry. Sep2023, Vol. 36 Issue 9, p1-8. 8p.

Subject Terms: *ISOMERIZATION, *DIELS-Alder reaction

Synthesis of 3‐arylated chlorophyll‐a derivatives via Diels–Alder reaction and their atropisomerism.

Authors: Kichishima, Saki¹ (AUTHOR), Maeda, Hiroaki¹ (AUTHOR), Tamiaki, Hitoshi¹ (AUTHOR) tamiaki@fc.ritsumei.ac.jp

Source: Journal of Physical Organic Chemistry. Sep2023, Vol. 36 Issue 9, p1-8. 8p.

Subject Terms: *STEREOCHEMISTRY, *DIELS-Alder reaction, *PHENYL group, *CIRCULAR dichroism, *ISOMERS, *ATROPISOMERS

Digging on the mechanism of some Diels–Alder reactions: the role of the reaction electronic flux.

Authors: Hernández-Mancera, Jennifer Paola¹ (AUTHOR), Vivas-Reyes, Ricardo¹ (AUTHOR), Gutiérrez-Oliva, Soledad² (AUTHOR), Herrera, Barbara² (AUTHOR), Toro-Labbé, Alejandro² (AUTHOR) atola@uc.cl

Source: Theoretical Chemistry Accounts: Theory, Computation, & Modeling. Aug2023, Vol. 142 Issue 8, p1-11. 11p.

Subject Terms: *DIELS-Alder reaction, *REACTION forces, *ACTIVATION energy, *POTENTIAL energy, *POLAR effects (Chemistry), *ENERGY function