Non-covalent bonds in group 1 and group 2 elements: the ‘alkalene bond’
Literature Information
Arijit Das, E. Arunan
The non-covalent bonds formed by group 1 and group 2 elements were systematically analysed by ab initio calculations at the MP2/aug-cc-pVDZ (for Ca, 6-311++G(2df,p) basis sets were used) level of theory to classify the weak bonds, followed by Atoms in Molecules (AIM) analysis of the ab initio wave functions. It has been established that there is a strong correlation between the electron density at the non-covalent bond critical point (BCP) and the binding energy for each homogeneous sample of complexes. The slopes of the electron density versus binding energy plot have been obtained for group 1 and group 2 donor molecules (Dn–X⋯A, for X = H, D = F/–OH/–SH, for X = Li, Na, D = F/Cl/Br and for X = Be, Mg, and Ca, D = F/Cl/H) with a set of acceptor molecules (A), which includes H2O, NH3, H2S, PH3, HCHO, C2H4, HCN, CO, CH3OH and CH3OCH3. The bonds formed by group 1 (except H-bonds) and group 2 belong to a high slope dominated by electrostatics, with several similarities, leading us to propose a common name, ‘alkalene bond’, for non-covalent bonding in alkali and alkaline earth metals.
Related Literature
Stability of two-dimensional PN monolayer sheets and their electronic properties
ShuangYing Ma, Chaoyu He, L. Z. Sun, Haiping Lin, Youyong Li, K. W. Zhang
DOI: 10.1039/C5CP05901A
Influence of additives on the structure of surfactant-free microemulsions
J. Marcus, D. Touraud, S. Prévost, O. Diat, T. Zemb, W. Kunz
DOI: 10.1039/C5CP06364G
Excited-state dynamics of guanosine in aqueous solution revealed by time-resolved photoelectron spectroscopy: experiment and theory
Franziska Buchner, Berit Heggen, Hans-Hermann Ritze, Walter Thiel, Andrea Lübcke
DOI: 10.1039/C5CP04394H
Unexpectedly large impact of van der Waals interactions on the description of heterogeneously catalyzed reactions: the water gas shift reaction on Cu(321) as a case example
Hèctor Prats, Pablo Gamallo, Ramón Sayós, Francesc Illas
DOI: 10.1039/C5CP06863K
A zero dimensional model of lithium–sulfur batteries during charge and discharge
Monica Marinescu, Teng Zhang, Gregory J. Offer
DOI: 10.1039/C5CP05755H
Effects of various kinetic rates of FtsZ filaments on bacterial cytokinesis
Zi He, Zhuan Liu, Kunkun Guo, Lina Ding
DOI: 10.1039/C5CP00183H
Mixtures of the 1-ethyl-3-methylimidazolium acetate ionic liquid with different inorganic salts: insights into their interactions
Filipe S. Oliveira, Eurico J. Cabrita, Smilja Todorovic, Carlos E. S. Bernardes, Jennifer L. Hodgson, Douglas R. MacFarlane, Luís P. N. Rebelo, Isabel M. Marrucho
DOI: 10.1039/C5CP06937H
B800–B850 coherence correlates with energy transfer rates in the LH2 complex of photosynthetic purple bacteria
Cathal Smyth, Daniel G. Oblinsky, Gregory D. Scholes
DOI: 10.1039/C5CP00295H
Titanate cathodes with enhanced electrical properties achieved via growing surface Ni particles toward efficient carbon dioxide electrolysis
Lingting Ye, Shanwen Tao, Kui Xie
DOI: 10.1039/C5CP06742A
You might also like
What precautions should be taken when handling 2-Methyl-2-propanyl 5-amino-2-thiophenecarboxylate (CAS: 1498311-57-1)?
When handling 2-Methyl-2-propanyl 5-amino-2-thiophenecarboxylate (CAS: 1498311-5...
What are the physical and chemical properties of 5-Bromo-1,2-dichloro-3-fluorobenzene (CAS: 1000572-93-9)?
5-Bromo-1,2-dichloro-3-fluorobenzene (CAS: 1000572-93-9) is a crystalline solid ...
How should (2R)-2-Amino-2-(4-bromophenyl)ethanol (CAS: 354153-64-3) be stored?
(2R)-2-Amino-2-(4-bromophenyl)ethanol (CAS: 354153-64-3) should be stored in a c...
What regulatory guidelines apply to Methyl 4-(aminomethyl)tetrahydro-2H-pyran-4-carboxylate hydrochloride (CAS: 362707-24-2)?
Methyl 4-(aminomethyl)tetrahydro-2H-pyran-4-carboxylate hydrochloride (CAS: 3627...
What are the main uses of 1,4-dimethyl-1H-pyrazole-5-sulfonyl chloride (CAS: 1174834-52-6)?
1,4-Dimethyl-1H-pyrazole-5-sulfonyl chloride is primarily used as an intermediat...
Is Dinaphtho[1,2-b:2',1'-d]furan (CAS: 239-69-0) safe?
Dinaphtho[1,2-b:2',1'-d]furan is generally safe when handled with appropriate pe...
What is the market or research trend for 7-Methyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione (CAS: 612-37-3)?
The market for 7-Methyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione (CAS: 612-37-3) i...
What are the physical and chemical properties of 2-(4-Chlorophenyl)malonaldehyde (CAS: 205676-17-1)?
2-(4-Chlorophenyl)malonaldehyde (CAS: 205676-17-1) is a colorless or light yello...
How is 2-Methylchrysene (CAS: 3351-32-4) typically synthesized?
2-Methylchrysene (CAS: 3351-32-4) is typically synthesized via the reaction of c...
Is N-(6-aminopyrimidin-4-yl)acetamide (CAS: 89533-23-3) safe?
N-(6-aminopyrimidin-4-yl)acetamide (CAS: 89533-23-3) is generally considered saf...
Source Journal
Physical Chemistry Chemical Physics

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.














methyl]-N,2-dimethyl-2-propanesulfinamide structure N-[(R)-[3-(Benzyloxy)-2-(dicyclohexylphosphino)phenyl](phenyl)methyl]-N,2-dimethyl-2-propanesulfinamide structure](https://static.chemtradehub.com/structs/256/2565792-50-7-8a26.webp)