Quantum isotopic effects and reaction mechanisms: the Li+HF reaction

Literature Information

Publication Date 2000-02-07
DOI 10.1039/A908781H
Impact Factor 3.676
Authors

Antonio Laganà, Alessandro Bolloni, Stefano Crocchianti


View Original

Abstract

Zero total angular momentum exact quantum probabilities for Li atoms reacting with HF and its isotopic variants were calculated at total energy values ranging from threshold up to 0.6 eV. In this way it has been possible to estimate product distributions as well as the dependence of the reactive probability upon orientation and rotational excitation of reactants. Computed values are compared with quantities obtained from the experiment. To estimate the reactive cross section from zero total angular momentum probabilities the J-shifting model was adopted.

Related Literature

Understanding charge transport in non-doped pristine and surface passivated hematite (Fe2O3) nanorods under front and backside illumination in the context of light induced water splitting

Prince Saurabh Bassi, Li Xianglin, Yanan Fang, Joachim Say Chye Loo, Lydia Helena Wong

2016-10-10 Communication

DOI: 10.1039/C6CP05379C

Aun (n = 1–16) clusters on the ZrO2(111) surface: a DFT+U investigation

Ming-Xing Liang, Liang Zhao

2016-10-12 Paper

DOI: 10.1039/C6CP05977E

Light-induced charge separation in a P3HT/PC70BM composite as studied by out-of-phase electron spin echo spectroscopy

Mikhail N. Uvarov, Edward J. Reijerse

2016-09-20 Paper

DOI: 10.1039/C6CP05389K

The magnetic structure of β-cobalt hydroxide and the effect of spin-orientation

Diego Hunt, Gastón Garbarino, Valeria Ferrari, Matías Jobbagy, Damian A. Scherlis

2016-10-07 Paper

DOI: 10.1039/C6CP06006D

Theoretical characterization of the conformational features of unnatural oligonucleotides containing a six nucleotide genetic alphabet

Wenjuan Wang, Xiehuang Sheng, Shaolong Zhang, Fang Huang, Chuanzhi Sun, Jianbiao Liu, Dezhan Chen

2016-09-20 Paper

DOI: 10.1039/C6CP05594J

Experimental, theoretical and computational investigation of the inelastic neutron scattering spectrum of a homonuclear diatomic molecule in a nearly spherical trap: H2@C60

Salvatore Mamone, Mónica Jiménez-Ruiz, Mark R. Johnson, Stéphane Rols, Anthony J. Horsewill

2016-10-06 Paper

DOI: 10.1039/C6CP06059E

The atomistic structure of yttria stabilised zirconia at 6.7 mol%: an ab initio study

David A. Tompsett, Mayeul d'Avezac, Gregory J. Offer, Nigel P. Brandon, Nicholas M. Harrison

2016-11-02 Paper

DOI: 10.1039/C6CP04694K

Microwave-gated dynamic nuclear polarization

Aurélien Bornet, Arthur Pinon, Lyndon Emsley

2016-09-30 Paper

DOI: 10.1039/C6CP05587G

You might also like

Compound Q&A

How is Ethyl 4-chlorothieno[2,3-b]pyridine-5-carboxylate (CAS: 59713-58-5) typically synthesized?

Ethyl 4-chlorothieno[2,3-b]pyridine-5-carboxylate (CAS: 59713-58-5) can be synth...

59713-58-5Ethyl 4-chlorothieno...
Compound Q&A

What regulatory guidelines apply to 5-Methyl-1H-indole-3-carbaldehyde (CAS: 52562-50-2)?

5-Methyl-1H-indole-3-carbaldehyde (CAS: 52562-50-2) is subject to various regula...

52562-50-25-Methyl-1H-indole-3...
Compound Q&A

What are the physical and chemical properties of (1,3-Dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)boronic acid (CAS: 223418-73-3)?

(1,3-Dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)boronic acid is a white...

223418-73-3(1,3-Dimethyl-2,4-di...
Compound Q&A

How should waste containing Sulfocostunolide A (CAS: 1016983-51-9) be handled?

Waste containing Sulfocostunolide A (CAS: 1016983-51-9) should be handled with c...

1016983-51-9Sulfocostunolide A
Compound Q&A

What precautions should be taken when handling Murraxocin (CAS: 88478-44-8)?

When handling Murraxocin (CAS: 88478-44-8), ensure proper personal protective eq...

88478-44-8Murraxocin
Compound Q&A

What are the physical and chemical properties of Formvar (CAS: 63148-64-1)?

Formvar (CAS: 63148-64-1) is an alkyd resin characterized by a high molecular we...

63148-64-1Formvar(R)
Compound Q&A

Is (S)-4-benzyl-2-((benzyloxy)methyl)morpholine (CAS: 205242-66-6) safe?

(S)-4-benzyl-2-((benzyloxy)methyl)morpholine is generally safe when handled with...

205242-66-6(S)-4-benzyl-2-((ben...
Compound Q&A

What industries use Methyl 1-(5-bromo-2-pyrimidinyl)cyclopropanecarboxylate (CAS: 1447607-69-3)?

Methyl 1-(5-bromo-2-pyrimidinyl)cyclopropanecarboxylate (CAS: 1447607-69-3) is p...

1447607-69-3Methyl 1-(5-bromo-2-...
Compound Q&A

Is 2-Methyl-1-phenyl-1-propanamine hydrochloride (CAS: 24290-47-9) safe?

2-Methyl-1-phenyl-1-propanamine hydrochloride (CAS: 24290-47-9) is generally con...

24290-47-92-Methyl-1-phenyl-1-...
Compound Q&A

How is 3-(4-Bromophenyl)-2-methylpropanoic acid (CAS: 66735-01-1) typically synthesized?

3-(4-Bromophenyl)-2-methylpropanoic acid is synthesized through a multi-step pro...

66735-01-13-(4-Bromophenyl)-2-...

Source Journal

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
Articles per Year: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

Recommended Compounds

Recommended Suppliers

Disclaimer
This page provides academic journal information for reference and research purposes only. We are not affiliated with any journal publishers and do not handle publication submissions. For publication-related inquiries, please contact the respective journal publishers directly.
If you notice any inaccuracies in the information displayed, please contact us at support@chemtradehub.com. We will promptly review and address your concerns.