Structures of protonated hydrogen sulfide clusters, H+(H2S)n, highlighting the nature of sulfur-centered intermolecular interactions
Literature Information
Dandan Wang, Asuka Fujii
Unique intermolecular structures of protonated hydrogen sulfide clusters, H+(H2S)n, are revealed by infrared spectroscopy and ab initio calculations. The identified intermolecular structures are significantly different from those of the corresponding protonated water clusters, H+(H2O)n, in spite of the common hydrogen bond coordination ability between hydrogen sulfide and water. Protonated hydrogen sulfide clusters have the Eigen type ion core, H3S+, in the size range of n = 3–9. After the first hydrogen bonded shell formation is completed at n = 4, further solvation prefers a new shell bound by the charge–dipole interaction rather than the second hydrogen bonded shell. Thus, closely solvated structures, in which 7 molecules, at maximum, directly interact with the Eigen type ion core, are formed. The beginning of the second hydrogen bonded shell is found at n = 9. Competition among intermolecular interactions in H+(H2S)n is discussed.
Related Literature
A theoretical investigation of internal conversion in 1,2-dithiane using non-adiabatic multiconfigurational molecular dynamics
C. D. Rankine, J. P. F. Nunes, M. S. Robinson, P. D. Lane, D. A. Wann
DOI: 10.1039/C6CP05518D
Computational investigation into the gas-phase ozonolysis of the conjugated monoterpene α-phellandrene
F. A. Mackenzie-Rae, A. Karton, S. M. Saunders
DOI: 10.1039/C6CP04695A
Maximizing ion current rectification in a bipolar conical nanopore fluidic diode using optimum junction location
DOI: 10.1039/C6CP05280K
The rectifying and negative differential resistance effects in graphene/h-BN nanoribbon heterojunctions
Yipeng An, Mengjun Zhang, Dapeng Wu, Tianxing Wang, Zhaoyong Jiao, Congxin Xia, Kun Wang
DOI: 10.1039/C6CP05912K
Control of calcium accessibility over hydroxyapatite by post-precipitation steps: influence on the catalytic reactivity toward alcohols
Manel Ben Osman, Sarah Diallo Garcia, Jean-Marc Krafft, Christophe Methivier, Juliette Blanchard, Tetsuya Yoshioka, Jun Kubo, Guylène Costentin
DOI: 10.1039/C6CP05294K
Charge-transfer and isomerization reactions of trans-4-(N-arylamino)stilbenes
Hsuan-Hsiao Yao, Hsu-Hsiang Cheng, Chao-Han Cheng, Cheng-Kai Lin, Jye-Shane Yang, I-Chia Chen
DOI: 10.1039/C6CP05514A
Mechanistical investigation on the self-enhanced photocatalytic activity of CuO/Cu2O hybrid nanostructures by density functional theory calculations
Feiyu Diao, FengHui Tian, Wenshuang Liang, Honglei Feng, Yiqian Wang
DOI: 10.1039/C6CP03977D
A comparative study of small 3d-metal oxide (FeO)n, (CoO)n, and (NiO)n clusters
G. L. Gutsev, K. G. Belay, L. G. Gutsev, B. R. Ramachandran
DOI: 10.1039/C6CP03241A
Electronic and optical properties of MAPbX3 perovskites (X = I, Br, Cl): a unified DFT and GW theoretical analysis
Paolo Umari
DOI: 10.1039/C6CP03969C
You might also like
Is 2-(2-chloroacetamido)-3-phenylpropanoic acid (CAS: 7765-11-9) safe?
2-(2-Chloroacetamido)-3-phenylpropanoic acid (CAS: 7765-11-9) is generally consi...
Is 2-(Benzyloxy)-5-bromobenzoic acid (CAS: 62176-31-2) safe?
2-(Benzyloxy)-5-bromobenzoic acid can be handled safely if appropriate precautio...
What is (4-Methyl-1,2,5-oxadiazol-3-yl)methanamine hydrochloride (CAS: 1159825-48-5)?
(4-Methyl-1,2,5-oxadiazol-3-yl)methanamine hydrochloride is a chemical compound ...
What is 2-(5-Hexylthiophen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS: 917985-54-7)?
2-(5-Hexylthiophen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS: 917985-54...
Are there alternatives to 4-(8-Methyl-9H-1,3-dioxolo[4,5-h][2,3]benzodiazepin-5-yl)benzenamine (CAS: 102771-26-6) in synthesis?
While 4-(8-Methyl-9H-1,3-dioxolo[4,5-h][2,3]benzodiazepin-5-yl)benzenamine (CAS:...
What is the market or research trend for tert-butyl 3-hydroxy-4,5,7,8-tetrahydro-2H-pyrazolo[3,4-d]azepine-6-carboxylate (CAS: 851376-80-2)?
The market for tert-butyl 3-hydroxy-4,5,7,8-tetrahydro-2H-pyrazolo[3,4-d]azepine...
How should waste containing 3,5-Diamino-1H-pyrazole-4-carbonitrile (CAS: 6844-58-2) be handled?
Waste containing 3,5-Diamino-1H-pyrazole-4-carbonitrile (CAS: 6844-58-2) should ...
How is (6-Fluoro-3-pyridinyl)boronic acid (CAS: 351019-18-6) typically synthesized?
(6-Fluoro-3-pyridinyl)boronic acid can be synthesized through the reaction of 6-...
What industries use Dibenzyl carbonimidoylbiscarbamate (CAS: 10065-79-9)?
Dibenzyl carbonimidoylbiscarbamate (CAS: 10065-79-9) finds applications in vario...
What is the market or research trend for (beta,beta,2,3,4,5,6-~2~H_7_)Phenylalanine (CAS: 74228-83-4)?
The market for (beta,beta,2,3,4,5,6-~2~H_7_)Phenylalanine (CAS: 74228-83-4) is g...
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.










![Heptadecanoic Acid 3-[2-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl Ester structure Heptadecanoic Acid 3-[2-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl Ester structure](https://static.chemtradehub.com/structs/140/1404053-62-8-9da4.webp)

![{3-[Bis(4-hydroxyphenyl)methyl]-1-[2-(dimethylamino)ethyl]-1H-indol-2-yl}[4-(2-chlorophenyl)-1-piperazinyl]methanone structure {3-[Bis(4-hydroxyphenyl)methyl]-1-[2-(dimethylamino)ethyl]-1H-indol-2-yl}[4-(2-chlorophenyl)-1-piperazinyl]methanone structure](https://static.chemtradehub.com/structs/170/170365-25-0-e4d7.webp)

![19-[Chloro(dideuterio)methyl]-19-deuterio-20,20-dideuteriooxyoctatriacontane-18,21-dione structure 19-[Chloro(dideuterio)methyl]-19-deuterio-20,20-dideuteriooxyoctatriacontane-18,21-dione structure](https://static.chemtradehub.com/structs/124/1246818-85-8-6244.webp)