Detection of pentatetraene by reaction of the ethynyl radical (C2H) with allene (CH2CCH2) at room temperature

Fabien Goulay, Satchin Soorkia, Giovanni Meloni, David L. Osborn, Craig A. Taatjes and Stephen R. Leone

Phys. Chem. Chem. Phys., 2011, 13, 20820
DOI: 10.1039/c1cp22609f

Chemical dynamics of the CH(X2Π) + C2H4(X1A1g), CH(X2Π) + C2D4(X1A1g), and CD(X2Π) + C2H4(X1A1g) reactions studied under single collision conditions

Fangtong Zhang, Pavlo Maksyutenko and Ralf I. Kaiser

Phys. Chem. Chem. Phys., 2012, 14, 529
DOI: 10.1039/C1CP22350J

Formation of 2- and 1-methyl-1,4-dihydronaphthalene isomers via the crossed beam reactions of phenyl radicals (C6H5) with isoprene (CH2C(CH3)CHCH2) and 1,3-pentadiene (CH2CHCHCHCH3)

Tao Yang, Lloyd Muzangwa, Dorian S. N. Parker, Ralf I. Kaiser and Alexander M. Mebel

Phys. Chem. Chem. Phys., 2015, 17, 530
DOI: 10.1039/C4CP04612A

Directed gas phase preparation of ethynylallene (H2CCCHCCH; X1A′) via the crossed molecular beam reaction of the methylidyne radical (CH; X2Π) with vinylacetylene (H2CCHCCH; X1A′)

Chao He, Zhenghai Yang, Srinivas Doddipatla, Aaron M. Thomas, Ralf I. Kaiser, Galiya R. Galimova, Alexander M. Mebel, Kazuumi Fujioka and Rui Sun

Phys. Chem. Chem. Phys., 2022, 24, 26499
DOI: 10.1039/D2CP04081F

Experimental and theoretical study of the reaction of the ethynyl radical with nitrous oxide, C2H + N2O

Vinh Son Nguyen, Rehab M. Ibrahim Elsamra, Jozef Peeters, Shaun A. Carl and Minh Tho Nguyen

Phys. Chem. Chem. Phys., 2012, 14, 7456
DOI: 10.1039/c2cp40367f

An ab initio/RRKM study of the reaction mechanism and product branching ratios of the reactions of ethynyl radical with allene and methylacetylene

Adeel Jamal and Alexander M. Mebel

Phys. Chem. Chem. Phys., 2010, 12, 2606
DOI: 10.1039/b920977h

A crossed molecular beam and ab initio study on the formation of 5- and 6-methyl-1,4-dihydronaphthalene (C11H12) via the reaction of meta-tolyl (C7H7) with 1,3-butadiene (C4H6)

Lloyd G. Muzangwa, Tao Yang, Dorian S. N. Parker, Ralf. I. Kaiser, Alexander M. Mebel, Adeel Jamal, Mikhail Ryazantsev and Keiji Morokuma

Phys. Chem. Chem. Phys., 2015, 17, 7699
DOI: 10.1039/C5CP00311C

Studies of reactions relevant to astrochemistry

Michel Costes and Christian Naulin

Annu. Rep. Prog. Chem., Sect. C: Phys. Chem., 2013, 109, 189
DOI: 10.1039/c3pc90006a

Formation of 5- and 6-methyl-1H-indene (C10H10) via the reactions of the para-tolyl radical (C6H4CH3) with allene (H2CCCH2) and methylacetylene (HCCCH3) under single collision conditions

Tao Yang, Dorian S. N. Parker, Beni B. Dangi, Ralf I. Kaiser and Alexander M. Mebel

Phys. Chem. Chem. Phys., 2015, 17, 10510
DOI: 10.1039/C4CP04288C

The association reaction between C2H and 1-butyne: a computational chemical kinetics study

Debasish Mandal, Bhaskar Mondal and Abhijit K. Das

Phys. Chem. Chem. Phys., 2011, 13, 4583
DOI: 10.1039/c0cp02368j

Universal crossed beam imaging studies of polyatomic reaction dynamics

Hongwei Li and Arthur G. Suits

Phys. Chem. Chem. Phys., 2020, 22, 11126
DOI: 10.1039/D0CP00522C

Untangling the chemical evolution of Titan's atmosphere and surface–from homogeneous to heterogeneous chemistry

Ralf I. Kaiser, Pavlo Maksyutenko, Courtney Ennis, Fangtong Zhang, Xibin Gu, Sergey P. Krishtal, Alexander M. Mebel, Oleg Kostko and Musahid Ahmed

Faraday Discuss., 2010, 147, 429
DOI: 10.1039/c003599h

On the formation and the isomer specific detection of methylacetylene (CH3CCH), propene (CH3CHCH2), cyclopropane (c-C3H6), vinylacetylene (CH2CHCCH), and 1,3-butadiene (CH2CHCHCH2) from interstellar methane ice analogues

Matthew J. Abplanalp, Sándor Góbi and Ralf I. Kaiser

Phys. Chem. Chem. Phys., 2019, 21, 5378
DOI: 10.1039/C8CP03921F

Elementary reactions of N atoms with hydrocarbons: first steps towards the formation of prebiotic N-containing molecules in planetary atmospheres

Nadia Balucani

Chem. Soc. Rev., 2012, 41, 5473
DOI: 10.1039/c2cs35113g

A combined crossed molecular beam and theoretical investigation of the reaction of the meta-tolyl radical with vinylacetylene – toward the formation of methylnaphthalenes

Tao Yang, Lloyd Muzangwa, Ralf I. Kaiser, Adeel Jamal and Keiji Morokuma

Phys. Chem. Chem. Phys., 2015, 17, 21564
DOI: 10.1039/C5CP03285G

Discovery of HCCCH2CCH in TMC-1 with the QUIJOTE line survey

R. Fuentetaja, M. Agúndez, C. Cabezas, B. Tercero, N. Marcelino, J. R. Pardo, P. de Vicente and J. Cernicharo

A&A, 2024, 688, L15
DOI: 10.1051/0004-6361/202348777

Reaction of the C2H Radical with 1-Butyne (C4H6): Low-Temperature Kinetics and Isomer-Specific Product Detection

Satchin Soorkia, Adam J. Trevitt, Talitha M. Selby, David L. Osborn, Craig A. Taatjes, Kevin R. Wilson and Stephen R. Leone

J. Phys. Chem. A, 2010, 114, 3340
DOI: 10.1021/jp911132r

Reactions of C2H with 1- and 2-Butynes: An Ab Initio/RRKM Study of the Reaction Mechanism and Product Branching Ratios

Adeel Jamal and Alexander M. Mebel

J. Phys. Chem. A, 2011, 115, 2196
DOI: 10.1021/jp111521j

COMPLEX HYDROCARBON CHEMISTRY IN INTERSTELLAR AND SOLAR SYSTEM ICES REVEALED: A COMBINED INFRARED SPECTROSCOPY AND REFLECTRON TIME-OF-FLIGHT MASS SPECTROMETRY ANALYSIS OF ETHANE (C2H6) AND D6-ETHANE (C2D6) ICES EXPOSED TO IONIZING RADIATION

Matthew J. Abplanalp and Ralf I. Kaiser

ApJ, 2016, 827, 132
DOI: 10.3847/0004-637X/827/2/132

Combined Experimental and Theoretical Study on the Formation of the Elusive 2-Methyl-1-silacycloprop-2-enylidene Molecule under Single Collision Conditions via Reactions of the Silylidyne Radical (SiH; X2Π) with Allene (H2CCCH2; X1A1) and D4-Allene (D2CCCD2; X1A1)

Tao Yang, Beni B. Dangi, Pavlo Maksyutenko, Ralf I. Kaiser, Luke W. Bertels and Martin Head-Gordon

J. Phys. Chem. A, 2015, 119, 12562
DOI: 10.1021/acs.jpca.5b09773

Crossed Molecular Beam Study on the Formation of Phenylacetylene and Its Relevance to Titan’s Atmosphere

Brant Jones, Fangtong Zhang, Pavlo Maksyutenko, Alexander M. Mebel and R. I. Kaiser

J. Phys. Chem. A, 2010, 114, 5256
DOI: 10.1021/jp912054p

Reaction Rate and Isomer-Specific Product Branching Ratios of C2H + C4H8: 1-Butene, cis-2-Butene, trans-2-Butene, and Isobutene at 79 K

Jordy Bouwman, Martin Fournier, Ian R. Sims, Stephen R. Leone and Kevin R. Wilson

J. Phys. Chem. A, 2013, 117, 5093
DOI: 10.1021/jp403637t

Simulating the density of organic species in the atmosphere of Titan with a coupled ion-neutral photochemical model

V. Vuitton, R.V. Yelle, S.J. Klippenstein, S.M. Hörst and P. Lavvas

Icarus, 2019, 324, 120
DOI: 10.1016/j.icarus.2018.06.013

Tuning the Ground State Symmetry of Acetylenyl Radicals

Tao Zeng, David Danovich, Sason Shaik, Nandini Ananth and Roald Hoffmann

ACS Cent. Sci., 2015, 1, 270
DOI: 10.1021/acscentsci.5b00187

Implications for Extraterrestrial Hydrocarbon Chemistry: Analysis of Acetylene (C2H2) and D2-acetylene (C2D2) Ices Exposed to Ionizing Radiation via Ultraviolet–Visible Spectroscopy, Infrared Spectroscopy, and Reflectron Time-of-flight Mass Spectrometry

Matthew J. Abplanalp and Ralf I. Kaiser

ApJ, 2020, 889, 3
DOI: 10.3847/1538-4357/ab616c

Discovery of allenyl acetylene, H2CCCHCCH, in TMC-1

J. Cernicharo, C. Cabezas, M. Agúndez, B. Tercero, N. Marcelino, J. R. Pardo, F. Tercero, J. D. Gallego, J. A. López-Pérez and P. deVicente

A&A, 2021, 647, L3
DOI: 10.1051/0004-6361/202140482

Discovery of the propargyl radical (CH2CCH) in TMC-1: One of the most abundant radicals ever found and a key species for cyclization to benzene in cold dark clouds

M. Agúndez, C. Cabezas, B. Tercero, N. Marcelino, J. D. Gallego, P. de Vicente and J. Cernicharo

A&A, 2021, 647, L10
DOI: 10.1051/0004-6361/202140553

Crossed Beam Reactions of the Phenyl (C6H5; X2A1) and Phenyl-d5 Radical (C6D5; X2A1) with 1,2-Butadiene (H2CCCHCH3; X1A′)

Tao Yang, Dorian S. N. Parker, Beni B. Dangi, Ralf I. Kaiser, Vadim V. Kislov and Alexander M. Mebel

J. Phys. Chem. A, 2014, 118, 4372
DOI: 10.1021/jp411642w

A Semiempirical Capture Model for Fast Neutral Reactions at Low Temperature

Alexandre Faure, Véronique Vuitton, Roland Thissen and Laurent Wiesenfeld

J. Phys. Chem. A, 2009, 113, 13694
DOI: 10.1021/jp905609x

Formation of fulvene in the reaction of C2H with 1,3-butadiene

Jessica F. Lockyear, Martin Fournier, Ian R. Sims, Jean-Claude Guillemin, Craig A. Taatjes, David L. Osborn and Stephen R. Leone

International Journal of Mass Spectrometry, 2015, 378, 232
DOI: 10.1016/j.ijms.2014.08.025

A Combined Experimental and Theoretical Study on the Formation of the 2-Methyl-1-silacycloprop-2-enylidene Molecule via the Crossed Beam Reactions of the Silylidyne Radical (SiH; X2Π) with Methylacetylene (CH3CCH; X1A1) and D4-Methylacetylene (CD3CCD; X1A1)

Tao Yang, Beni B. Dangi, Ralf I. Kaiser, Luke W. Bertels and Martin Head-Gordon

J. Phys. Chem. A, 2016, 120, 4872
DOI: 10.1021/acs.jpca.5b12457

Elementary Reactions and Their Role in Gas-Phase Prebiotic Chemistry

Nadia Balucani

IJMS, 2009, 10, 2304
DOI: 10.3390/ijms10052304

Implications for Extraterrestrial Hydrocarbon Chemistry: Analysis of Ethylene (C2H4) and D4-Ethylene (C2D4) Ices Exposed to Ionizing Radiation via Combined Infrared Spectroscopy and Reflectron Time-of-flight Mass Spectrometry

Matthew J. Abplanalp and Ralf I. Kaiser

ApJ, 2017, 836, 195
DOI: 10.3847/1538-4357/aa5c32

PAH Formation under Single Collision Conditions: Reaction of Phenyl Radical and 1,3-Butadiene to Form 1,4-Dihydronaphthalene

R. I. Kaiser, D. S. N. Parker, F. Zhang, A. Landera, V. V. Kislov and A. M. Mebel

J. Phys. Chem. A, 2012, 116, 4248
DOI: 10.1021/jp301775z

Exploring the Chemical Dynamics of Phenylethynyl Radical (C6H5CC; X2A1) Reactions with Allene (H2CCCH2; X1A1) and Methylacetylene (CH3CCH; X1A1)

Shane J. Goettl, Zhenghai Yang, Siegfried Kollotzek, Dababrata Paul, Ralf I. Kaiser, Ankit Somani, Adrian Portela-Gonzalez, Wolfram Sander, Anatoliy A. Nikolayev, Valeriy N. Azyazov and Alexander M. Mebel

J. Phys. Chem. A, 2023, 127, 5723
DOI: 10.1021/acs.jpca.3c03077

Kinetics of Homoallylic/Homobenzylic Rearrangement Reactions under Combustion Conditions

Zhaohui Wang, Lidong Zhang and Feng Zhang

J. Phys. Chem. A, 2014, 118, 6741
DOI: 10.1021/jp503325p

A combined experimental and computational study on the reaction dynamics of the 1-propynyl (CH 3 CC, X 2 A 1 ) – propylene (CH 3 CHCH 2 , X 1 A′) system: formation of 1,3-dimethylvinylacetylene (CH 3 CCCHCHCH 3 , X 1 A′) under single collision conditions

Iakov A. Medvedkov, Anatoliy A. Nikolayev, Chao He, Zhenghai Yang, Alexander M. Mebel and Ralf I. Kaiser

Molecular Physics, 2024, 122
DOI: 10.1080/00268976.2023.2234509

Elucidating the Chemical Dynamics of the Elementary Reactions of the 1-Propynyl Radical (CH3CC; X2A1) with Methylacetylene (H3CCCH; X1A1) and Allene (H2CCCH2; X1A1)

Chao He, Long Zhao, Aaron M. Thomas, Alexander N. Morozov, Alexander M. Mebel and Ralf I. Kaiser

J. Phys. Chem. A, 2019, 123, 5446
DOI: 10.1021/acs.jpca.9b03746