From a humorous post to a detailed quantum-chemical study: isocyanate synthesis revisited-Reference-Cited by-同舟云学术

From a humorous post to a detailed quantum-chemical study: isocyanate synthesis revisited

Published:2024 Issue:18 Volume:26 Page:13850-13861
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Beletsan Oleg B.¹^ORCID,Gordiy Igor²,Lunkov Sergey S.¹³,Kalinin Mikhail A.¹^ORCID,Alkhimova Larisa E.⁴⁵^ORCID,Nosach Egor A.⁶^ORCID,Ilin Egor A.¹³,Bespalov Alexandr V.⁷^ORCID,Dallakyan Olgert L.⁸^ORCID,Chamkin Aleksandr A.⁹^ORCID,Prolomov Ilya V.¹⁰³^ORCID,Zaripov Radion A.¹¹,Pershin Andrey A.¹²¹³^ORCID,Protsenko Bogdan O.¹⁴^ORCID,Rusalev Yury V.¹⁴,Oganov Ruslan A.¹⁵^ORCID,Kovaleva Diana K.¹⁵,Mironov Vladimir A.¹⁶,Dotsenko Victor V.⁷¹⁷^ORCID,Genaev Alexandr M.¹⁸^ORCID,Sharapa Dmitry I.¹⁹^ORCID,Tikhonov Denis S.¹⁹^ORCID

Affiliation:

1. Department of Chemistry, Lomonosov Moscow State University, 119991 Moscow, Russia

2. ChemU Corporation Ltd, 17 17 Gr. Xenopoulou St., 3106 Limassol, Cyprus

3. N. D. Zelinsky Institute of Organic Chemistry, Leninsky prosp. 47, 119991 Moscow, Russia

4. Center for Nature-Inspired Engineering, University of Tyumen, 625003 Tyumen, Russia

5. School of Natural Sciences, University of Tyumen, 625003 Tyumen, Russia

6. Department of Fundamental Physical and Chemical Engineering, Lomonosov Moscow State University, 119234 Moscow, Russia

7. Department of Chemistry and High Technologies, Kuban State University, 149 Stavropolskaya St., 350040 Krasnodar, Russia

8. Computational Material Science Laboratory, Department of Physics, Yerevan State University, 0025 Yerevan, Armenia

9. A.N. Nesmeyanov Institute of Organoelement Compounds of Russian Academy of Sciences, 119334 Moscow, Russia

10. D. Mendeleev University of Chemical Technology of Russia, 125047 Moscow, Russia

11. Skolkovo Institute of Science and Technology, 121205 Moscow, Russia

12. Samara Branch of Lebedev Physical Institute, 443011 Samara, Russia

13. Department of Physics, Samara University, 443086 Samara, Russia

14. The Smart Materials Research Institute, Southern Federal University, 344090 Rostov-on-Don, Russia

15. Department of Biochemistry, Lomonosov Moscow State University, 119991 Moscow, Russia

16. A. M. Butlerov Chemistry Institute, Kazan Federal University, 420008 Kazan, Russia

17. Faculty of Chemistry and Pharmacy, North-Caucasus Federal University, 355017 Stavropol, Russia

18. N.N. Vorozhtsov Institute of Organic Chemistry, 630090 Novosibirsk, Russia

19. Independent researcher, Germany

Abstract

Starting from a joke in a social network, we performed a theoretical investigation of the mechanism for the catalytic formation of isocyanates.

Funder

Ministry of Science and Higher Education of the Russian Federation

Ministry of Education and Science of the Russian Federation

Publisher

Royal Society of Chemistry (RSC)

Link

http://pubs.rsc.org/en/content/articlepdf/2024/CP/D3CP04654K

Reference99 articles.

1. V. I.Gorbatenko , E. Z.Zhuravlev and L. I.Samarai , Isocyanates. Synthesis and Properties of Alkyl-, Aryl-, and Heteroisocyanates. (in Russian) , Naukova Dumka, Kiev , 1987

2. Recent Advances in Isocyanate Chemistry

3. Challenges and recent advances in bio-based isocyanate production

4. R.Richter and H.Ulrich , Syntheses and preparative applications of isocyanates , John Wiley & Sons, Ltd , 1977 , ch. 17, pp. 619–818 10.1002/9780470771532.ch1

5. Polyurethanes: Versatile Materials and Sustainable Problem Solvers for Today’s Challenges

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