Journal of Physical Chemistry A

, volume 124 , issue 28 , pages 5917-5930

Reinvestigation of the Deceptively Simple Reaction of Toluene with OH and the Fate of the Benzyl Radical: The “Hidden” Routes to Cresols and Benzaldehyde

Zoi Salta ¹

Agnie M. Kosmas ²

Marc E Segovia ³

Martina Kieninger ³

Nicola Tasinato ¹

Vincenzo Barone ¹

Oscar Néstor Ventura ³

Hide authors affiliations Show authors affiliations: 3 affiliations

Scuola Normale Superiore, Piazza Dei Cavalieri 7, 56126 Pisa, Italy |

Physical Chemistry Sector, Department of Chemistry, University of Ioannina, 45110 Ioannina, Greece |

Computational Chemistry and Biology Group, CCBG, DETEMA, Facultad de Química, Universidad de la República, 11400 Montevideo, Uruguay |

Publication type: Journal Article

Publication date: 2020-06-16

American Chemical Society (ACS)

Journal of Physical Chemistry A

scimago Q2

wos Q2

SJR: 0.634

CiteScore: 4.8

Impact factor: 2.8

ISSN: 10895639, 15205215

DOI: 10.1021/acs.jpca.0c03727

Copy DOI

PubMed ID: 32543200

Physical and Theoretical Chemistry

Abstract

In a previous work, we have investigated the initial steps of the reaction of toluene with the hydroxyl radical using several quantum chemical approaches including density functional and composite ...

Found

1 citation

Khrustalev Victor

DSc in Chemistry, professor, professor of the Russian Academy of Sciences

327 publications, 4 137 citations, 4 reviews

h-index: 30

N.D. Zelinsky Institute of Organic Chemistry of the Russian Academy of Sciences

Peoples' Friendship University of Russia

1 citation

Shubina Elena

DSc in Chemistry, professor

264 publications, 5 901 citations, 16 reviews

h-index: 38

A.N.Nesmeyanov Institute of Organoelement Compounds of the Russian Academy of Sciences

Research interests

Molecular spectroscopy

1 citation

Bilyachenko Alexey

🥼 🤝

DSc in Chemistry

88 publications, 2 091 citations, 13 reviews

h-index: 28

A.N.Nesmeyanov Institute of Organoelement Compounds of the Russian Academy of Sciences

Peoples' Friendship University of Russia

Top-30

Journals

	1 2 3
Environmental Science & Technology	Environmental Science & Technology, 3, 13.04% Environmental Science & Technology 3 publications, 13.04%
Atmospheric Chemistry and Physics	Atmospheric Chemistry and Physics, 1, 4.35% Atmospheric Chemistry and Physics 1 publication, 4.35%
Journal of Hazardous Materials	Journal of Hazardous Materials, 1, 4.35% Journal of Hazardous Materials 1 publication, 4.35%
Journal of Molecular Liquids	Journal of Molecular Liquids, 1, 4.35% Journal of Molecular Liquids 1 publication, 4.35%
Fuel	Fuel, 1, 4.35% Fuel 1 publication, 4.35%
Progress in Energy and Combustion Science	Progress in Energy and Combustion Science, 1, 4.35% Progress in Energy and Combustion Science 1 publication, 4.35%
Journal of the Indian Chemical Society	Journal of the Indian Chemical Society, 1, 4.35% Journal of the Indian Chemical Society 1 publication, 4.35%
Environmental Toxicology and Chemistry	Environmental Toxicology and Chemistry, 1, 4.35% Environmental Toxicology and Chemistry 1 publication, 4.35%
Macromolecules	Macromolecules, 1, 4.35% Macromolecules 1 publication, 4.35%
ACS Sustainable Chemistry and Engineering	ACS Sustainable Chemistry and Engineering, 1, 4.35% ACS Sustainable Chemistry and Engineering 1 publication, 4.35%
ACS Catalysis	ACS Catalysis, 1, 4.35% ACS Catalysis 1 publication, 4.35%
Journal of Materials Chemistry A	Journal of Materials Chemistry A, 1, 4.35% Journal of Materials Chemistry A 1 publication, 4.35%
Atmospheric Environment	Atmospheric Environment, 1, 4.35% Atmospheric Environment 1 publication, 4.35%
Science of the Total Environment	Science of the Total Environment, 1, 4.35% Science of the Total Environment 1 publication, 4.35%
Nature Communications	Nature Communications, 1, 4.35% Nature Communications 1 publication, 4.35%
Nanoscale	Nanoscale, 1, 4.35% Nanoscale 1 publication, 4.35%
Mendeleev Communications	Mendeleev Communications, 1, 4.35% Mendeleev Communications 1 publication, 4.35%
Process Safety and Environmental Protection	Process Safety and Environmental Protection, 1, 4.35% Process Safety and Environmental Protection 1 publication, 4.35%
Catalysis Today	Catalysis Today, 1, 4.35% Catalysis Today 1 publication, 4.35%
ChemistrySelect	ChemistrySelect, 1, 4.35% ChemistrySelect 1 publication, 4.35%
	1 2 3

Publishers

	1 2 3 4 5 6 7 8
Elsevier	Elsevier, 8, 34.78% Elsevier 8 publications, 34.78%
American Chemical Society (ACS)	American Chemical Society (ACS), 6, 26.09% American Chemical Society (ACS) 6 publications, 26.09%
Wiley	Wiley, 2, 8.7% Wiley 2 publications, 8.7%
Royal Society of Chemistry (RSC)	Royal Society of Chemistry (RSC), 2, 8.7% Royal Society of Chemistry (RSC) 2 publications, 8.7%
Copernicus	Copernicus, 1, 4.35% Copernicus 1 publication, 4.35%
Scientific Publishers	Scientific Publishers, 1, 4.35% Scientific Publishers 1 publication, 4.35%
Research Square Platform LLC	Research Square Platform LLC, 1, 4.35% Research Square Platform LLC 1 publication, 4.35%
Springer Nature	Springer Nature, 1, 4.35% Springer Nature 1 publication, 4.35%
OOO Zhurnal "Mendeleevskie Soobshcheniya"	OOO Zhurnal "Mendeleevskie Soobshcheniya", 1, 4.35% OOO Zhurnal "Mendeleevskie Soobshcheniya" 1 publication, 4.35%
	1 2 3 4 5 6 7 8

We do not take into account publications without a DOI.
Statistics recalculated weekly.

Are you a researcher?

Create a profile to get free access to personal recommendations for colleagues and new articles.

Metrics

Cite this

GOST |

Cite this

GOST Copy

Salta Z. et al. Reinvestigation of the Deceptively Simple Reaction of Toluene with OH and the Fate of the Benzyl Radical: The “Hidden” Routes to Cresols and Benzaldehyde // Journal of Physical Chemistry A. 2020. Vol. 124. No. 28. pp. 5917-5930.

GOST all authors (up to 50) Copy

Salta Z., Kosmas A. M., Segovia M. E., Kieninger M., Tasinato N., Barone V., Ventura O. N. Reinvestigation of the Deceptively Simple Reaction of Toluene with OH and the Fate of the Benzyl Radical: The “Hidden” Routes to Cresols and Benzaldehyde // Journal of Physical Chemistry A. 2020. Vol. 124. No. 28. pp. 5917-5930.

RIS |

Cite this

RIS Copy

TY - JOUR

DO - 10.1021/acs.jpca.0c03727

UR - https://doi.org/10.1021/acs.jpca.0c03727

TI - Reinvestigation of the Deceptively Simple Reaction of Toluene with OH and the Fate of the Benzyl Radical: The “Hidden” Routes to Cresols and Benzaldehyde

T2 - Journal of Physical Chemistry A

AU - Salta, Zoi

AU - Kosmas, Agnie M.

AU - Segovia, Marc E

AU - Kieninger, Martina

AU - Tasinato, Nicola

AU - Barone, Vincenzo

AU - Ventura, Oscar Néstor

PY - 2020

DA - 2020/06/16

PB - American Chemical Society (ACS)

SP - 5917-5930

IS - 28

VL - 124

PMID - 32543200

SN - 1089-5639

SN - 1520-5215

ER -

BibTex |

Cite this

BibTex (up to 50 authors) Copy

@article{2020_Salta,

author = {Zoi Salta and Agnie M. Kosmas and Marc E Segovia and Martina Kieninger and Nicola Tasinato and Vincenzo Barone and Oscar Néstor Ventura},

title = {Reinvestigation of the Deceptively Simple Reaction of Toluene with OH and the Fate of the Benzyl Radical: The “Hidden” Routes to Cresols and Benzaldehyde},

journal = {Journal of Physical Chemistry A},

year = {2020},

volume = {124},

publisher = {American Chemical Society (ACS)},

month = {jun},

url = {https://doi.org/10.1021/acs.jpca.0c03727},

number = {28},

pages = {5917--5930},

doi = {10.1021/acs.jpca.0c03727}

}

MLA

Cite this

MLA Copy

Salta, Zoi, et al. “Reinvestigation of the Deceptively Simple Reaction of Toluene with OH and the Fate of the Benzyl Radical: The “Hidden” Routes to Cresols and Benzaldehyde.” Journal of Physical Chemistry A, vol. 124, no. 28, Jun. 2020, pp. 5917-5930. https://doi.org/10.1021/acs.jpca.0c03727.

Publisher

American Chemical Society (ACS)

Journal

Journal of Physical Chemistry A

scimago Q2

wos Q2

SJR

0.634

CiteScore

4.8

Impact factor

2.8

ISSN

10895639 (Print)

15205215 (Electronic)

Profiles

Vincenzo Barone