Home / Publications / Gradient line reaction path of ammonia addition to formaldehyde

Gradient line reaction path of ammonia addition to formaldehyde

Ruslan Mikhailovich Minyaev 1
Ruslan Mikhailovich Minyaev
Eugeny Alexandrovich Lepin 1
Eugeny Alexandrovich Lepin
Published 1997-10-30
CommunicationVolume 7, Issue 5, 189-191
6
Share
Cite this
GOST
 | 
Cite this
GOST Copy
Minyaev R. M., Lepin E. A. Gradient line reaction path of ammonia addition to formaldehyde // Mendeleev Communications. 1997. Vol. 7. No. 5. pp. 189-191.
GOST all authors (up to 50) Copy
Minyaev R. M., Lepin E. A. Gradient line reaction path of ammonia addition to formaldehyde // Mendeleev Communications. 1997. Vol. 7. No. 5. pp. 189-191.
RIS
 | 
Cite this
RIS Copy
TY - JOUR
DO - 10.1070/MC1997v007n05ABEH000770
UR - https://mendcomm.colab.ws/publications/10.1070/MC1997v007n05ABEH000770
TI - Gradient line reaction path of ammonia addition to formaldehyde
T2 - Mendeleev Communications
AU - Minyaev, Ruslan Mikhailovich
AU - Lepin, Eugeny Alexandrovich
PY - 1997
DA - 1997/10/30
PB - Mendeleev Communications
SP - 189-191
IS - 5
VL - 7
ER -
BibTex
 | 
Cite this
BibTex (up to 50 authors) Copy
@article{1997_Minyaev,
author = {Ruslan Mikhailovich Minyaev and Eugeny Alexandrovich Lepin},
title = {Gradient line reaction path of ammonia addition to formaldehyde},
journal = {Mendeleev Communications},
year = {1997},
volume = {7},
publisher = {Mendeleev Communications},
month = {Oct},
url = {https://mendcomm.colab.ws/publications/10.1070/MC1997v007n05ABEH000770},
number = {5},
pages = {189--191},
doi = {10.1070/MC1997v007n05ABEH000770}
}
MLA
Cite this
MLA Copy
Minyaev, Ruslan Mikhailovich, and Eugeny Alexandrovich Lepin. “Gradient line reaction path of ammonia addition to formaldehyde.” Mendeleev Communications, vol. 7, no. 5, Oct. 1997, pp. 189-191. https://mendcomm.colab.ws/publications/10.1070/MC1997v007n05ABEH000770.

Abstract

The gradient line reaction path of the gas phase ammonia addition to formaldehyde has been calculated by using the RHF/6-31G** and MP2(full)/6-311++G** methods and it has been shown that two successive transition state structures lie on the path.

References

1.
10.1070/MC1997v007n05ABEH000770_bib1
Jencks
Catalysis in Chemistry and Biochemistry, 1969
2.
10.1070/MC1997v007n05ABEH000770_bib2
Minkin
Quantum Chemistry of Organic Compounds. Mechanisms of Reactions, 1990
3.
Stereochemistry of reaction paths at carbonyl centres
B:urgi H.B., Dunitz J.D., Lehn J.M., Wipff G.
Tetrahedron, 1974
4.
Reaction Mechanisms of Formaldehyde with Endocyclic Imino Groups of Nucleic Acid Bases
Chang Y., Loew G.H.
Journal of the American Chemical Society, 1994
5.
Mechanisms of nucleophilic addition to activated double bonds: 1,2- and 1,4-Michael addition of ammonia
Pardo L., Osman R., Weinstein H., Rabinowitz J.R.
Journal of the American Chemical Society, 1993
10.
Theoretical modelling of specific solvation effects upon carbonyl addition
Williams I.H.
Journal of the American Chemical Society, 1987
11.
Interaction energy of formaldehyde with ammonia
Kozmutza C., Evleth E.M., Kapuy E.
Journal of Molecular Structure THEOCHEM, 1991
12.
Reaction path as a gradient line on a potential energy surface
Minyaev R.M.
International Journal of Quantum Chemistry, 1994
13.
10.1070/MC1997v007n05ABEH000770_bib13
Foresman
Exploring Chemistry with Electronic Structure Methods, 1996
14.
M. J. Frish, G. W. Trucks, H. B. Schlegel, P. M. W. Gill, B. G. Johnson, M. A. Robb, J. R. Cheeseman, T. A. Keith, G. A. Peterson, J. A. Montgomery, K. Raghavachari, M. A. AlLaham, V. G. Zakrzewski, J. V. Ortiz, J. B. Foresman, C. Y. Peng, P. Y. Ayala, W. Chen, M. W. Wong, J. L. Andres, E. S. Replogle, R. Gomperts, R. L. Martin, D. J. Fox, J. S. Binkley, D. J. Defrees, J. Baker, J. P. Stewart, M. Head-Gordon, C. Gonzalez and J. A. Pople. Gaussian-94, Revision B.3, Gaussian, Inc., Pittsburg, 1995.