"Dry" NiCo\begin{document}$_\textbf{2}$\end{document}O\begin{document}$_\textbf{4}$\end{document} Nanorods for Electrochemical Non-enzymatic Glucose Sensing

A rod-like NiCo\begin{document}$_2$\end{document}O\begin{document}$_4$\end{document} modified glassy carbon electrode was fabricated and used for non-enzymatic glucose sensing. The NiCo\begin{document}$_2$\end{document}O\begin{document}$_4$\end{document} was prepared by a facile hydrothermal reaction and subsequently treated in a commercial microwave oven to eliminate the residual water introduced during the hydrothermal procedure. Structural analysis showed that there was no significant structural alteration before and after microwave treatment. The elimination of water residuals was confirmed by the stoichiometric ratio change by using element analysis. The microwave treated NiCo\begin{document}$_2$\end{document}O\begin{document}$_4$\end{document} (M-NiCo\begin{document}$_2$\end{document}O\begin{document}$_4$\end{document}) showed excellent performance as a glucose sensor (sensitivity 431.29 \begin{document}$\mu $\end{document}A\begin{document}$\cdot$\end{document}mmol/L\begin{document}$^{-1}$\end{document}\begin{document}$\cdot$\end{document}cm\begin{document}$^{-2}$\end{document}). The sensing performance decreases dramatically by soaking the M-NiCo\begin{document}$_2$\end{document}O\begin{document}$_4$\end{document} in water. This result indicates that the introduction of residual water during hydrothermal process strongly affects the electrochemical performance and microwave pre-treatment is crucial for better sensory performance.     

Gamma Ray Radiation Effect on \begin{document}$\rm{{Bi}}_{2}$\end{document}W\begin{document}$\rm{{O}}_{6}$\end{document} Photocatalyst

The development of \begin{document}$\rm{Bi}_2$\end{document}W\begin{document}$\rm{O}_6$\end{document}-based materials has become one of research hotspots due to the increasing demands on high-efficient photocatalyst responding to visible light. In this work, the effect of high energy radiation (\begin{document}$\gamma$\end{document}-ray) on the structure and the photocatalytic activity of \begin{document}$\rm{Bi}_2$\end{document}W\begin{document}$\rm{O}_6$\end{document} nanocrystals was first studied. No morphological change of \begin{document}$\rm{Bi}_2$\end{document}W\begin{document}$\rm{O}_6$\end{document} nanocrystals was observed by SEM under \begin{document}$\gamma$\end{document}-ray radiation. However, the XRD spectra of the irradiated \begin{document}$\rm{Bi}_2$\end{document}W\begin{document}$\rm{O}_6$\end{document} nanocrystals showed the characteristic 2\begin{document}$\theta$\end{document} of (113) plane shifts slightly from 28.37\begin{document}$^{\rm{o}}$\end{document} to 28.45\begin{document}$^{\rm{o}}$\end{document} with the increase of the absorbed dose, confirming the change in the crystal structure of \begin{document}$\rm{Bi}_2$\end{document}W\begin{document}$\rm{O}_6$\end{document}. The XPS results proved the crystal structure change was originated from the generation of oxygen vacancy defects under high-dose radiation. The photocatalytic activity of \begin{document}$\rm{Bi}_2$\end{document}W\begin{document}$\rm{O}_6$\end{document} on the decomposition of methylene blue (MB) in water under visible light increases gradually with the increase of absorbed dose. Moreover, the improved photocatalytic performance of the irradiated \begin{document}$\rm{Bi}_2$\end{document}W\begin{document}$\rm{O}_6$\end{document} nanocrystals remained after three cycles of photocatalysis, indicating a good stability of the created oxygen vacancy defects. This work gives a new simple way to improve photocatalytic performance of \begin{document}$\rm{Bi}_2$\end{document}W\begin{document}$\rm{O}_6$\end{document} through creating oxygen vacancy defects in the crystal structure by \begin{document}$\gamma$\end{document}-ray radiation.     

Ag-Cu Nanoparticles Supported on N-Doped TiO\begin{document}$_2$\end{document} Nanowire Arrays for Efficient Photocatalytic CO\begin{document}$_2$\end{document} Reduction

Photocatalytic reduction of CO\begin{document}$_2$\end{document} into various types of fuels has attracted great interest, and serves as a potential solution to addressing current global warming and energy challenges. In this work, Ag-Cu nanoparticles are densely supported on N-doped TiO\begin{document}$_2$\end{document} nanowire through a straightforward nanofabrication approach. The range of light absorption by N-doped TiO\begin{document}$_2$\end{document} can be tuned to match the plasmonic band of Ag nanoparticles, which allows synergizing a resonant energy transfer process with the Schottky junction. Meanwhile, Cu nanoparticles can provide active sites for the reduction of CO\begin{document}$_2$\end{document} molecules. Remarkably, the performance of photocatalytic CO\begin{document}$_2$\end{document} reduction is improved to produce CH\begin{document}$_4$\end{document} at a rate of 720 \begin{document}$\mu$\end{document}mol\begin{document}$\cdot$\end{document}g\begin{document}$^{-1}$\end{document}\begin{document}$\cdot$\end{document}h\begin{document}$^{-1}$\end{document} under full-spectrum irradiation.     

Delocalized \begin{document}$\pi_3^6$\end{document} Bond in OX\begin{document}$_2$\end{document} (X=Halogen) Molecules

OX\begin{document}$_2$\end{document} (X=halogen) molecules was studied theoretically. Calculation results show that delocalized \begin{document}$\pi_3^6$\end{document} bonds exist in their electronic structures and O atoms adopt the sp\begin{document}$^2$\end{document} type of hybridization, which violates the prediction of the valence shell electron pair repulsion theory of sp\begin{document}$^3$\end{document} type. Delocalization stabilization energy is proposed to measure the contribution of delocalized \begin{document}$\pi_3^6$\end{document} bond to energy decrease and proves to bring extra-stability to the molecule. These phenomena can be summarized as a kind of coordinating effect.     

Imaging HNCO Photodissociation at 201 nm: State-to-State Correlations between CO (\begin{document}$X^1{\Sigma}^+$\end{document}) and NH (\begin{document}${a}^1{\Delta}$\end{document})

The NH(\begin{document}$a^1$\end{document}\begin{document}$\Delta$\end{document})+CO(\begin{document}$X^1$\end{document}\begin{document}$\Sigma^+$\end{document}) product channel for the photodissociation of isocyanic acid (HNCO) on the first excited singlet state S\begin{document}$_1$\end{document} has been investigated by means of time-sliced ion velocity map imaging technique at photolysis wavelengths around 201 nm. The CO product was detected through (2+1) resonance enhanced multiphoton ionization (REMPI). Images were obtained for CO products formed in the ground and vibrational excited state (\begin{document}$v$\end{document}=0 and \begin{document}$v$\end{document}=1). The energy distributions and product angular distributions were obtained from the CO velocity imaging. The correlated NH(\begin{document}$a^1\Delta$\end{document}) rovibrational state distributions were determined. The vibrational branching ratio of \begin{document}$^1$\end{document}NH (\begin{document}$v$\end{document}=1/\begin{document}$v$\end{document}=0) increases as the rotational state of CO(\begin{document}$v$\end{document}=0) increases initially and decreases afterwards, which indicates a special state-to-state correlation between the \begin{document}$.1$\end{document}NH and CO products. About half of the available energy was partitioned into the translational degree of freedom. The negative anisotropy parameter \begin{document}$\beta$\end{document} indicates that it is a vertical direct dissociation process.     

Low-Lying Isomers of (TiO\begin{document}$_{2}$\end{document})\begin{document}$_{n}$\end{document} (\begin{document}${n}$\end{document}=2-8) Clusters

Although there are diverse bond features of Ti and O atoms, so far only several isomers have been reported for each (TiO\begin{document}$_2$\end{document})\begin{document}$_n$\end{document} cluster. Instead of the widely used global optimization, in this work, we search for the low-lying isomers of (TiO\begin{document}$_2$\end{document})\begin{document}$_n$\end{document} (\begin{document}$n$\end{document}=2\begin{document}$-$\end{document}8) clusters with up to 10000 random sampling initial structures. These structures were optimized by the PM6 method, followed by density functional theory calculations. With this strategy, we have located many more low-lying isomers than those reported previously. The number of isomers increases dramatically with the size of the cluster, and about 50 isomers were found for (TiO\begin{document}$_2$\end{document})\begin{document}$_7$\end{document} and (TiO\begin{document}$_2$\end{document})\begin{document}$_8$\end{document} with the energy within kcal/mol. Furthermore, new lowest isomers have been located for (TiO\begin{document}$_2$\end{document})\begin{document}$_5$\end{document} and (TiO\begin{document}$_2$\end{document})\begin{document}$_8$\end{document}, and isomers with three terminal oxygen atoms, five coordinated oxygen atoms as well as six coordinated titanium atoms have been located. Our work highlights the diverse structural features and a large number of isomers of small TiO\begin{document}$_2$\end{document} clusters.     

Electrosynthesis of Highly Efficient WO\begin{document}$_{3-x}$\end{document}/Graphene (Photo-)Electro- Catalyst by Two-Electrode Electrolysis System for Oxygen Evolution Reaction

Integration of non-noble transition metal oxides with graphene is known to construct high-activity electrocatalysts for oxygen evolution reduction (OER). In order to avoid the complexity of traditional synthesis process, a facile electrochemical method is elaborately designed to engineer efficient WO\begin{document}$_{3-x}$\end{document}/graphene (photo-)electrocatalyst for OER by a two-electrode electrolysis system, where graphite cathode is exfoliated into graphene and tungsten wire anode evolves into V\begin{document}$_\textrm{O}$\end{document}-rich WO\begin{document}$_{3-x}$\end{document} profiting from formed reductive electrolyte solution. Among as-prepared samples, WO\begin{document}$_{3-x}$\end{document}/G-2 shows the best electrocatalytic performance for OER with an overpotential of 320 mV (without iR compensation) at 10 mA/cm\begin{document}$^2$\end{document}, superior to commercial RuO\begin{document}$_2$\end{document} (341 mV). With introduction of light illumination, the activity of WO\begin{document}$_{3-x}$\end{document}/G-2 is greatly enhanced and its overpotential decreases to 290 mV, benefiting from additional reaction path produced by photocurrent effect and extra active sites generated by photogenerated carriers (h\begin{document}$^+$\end{document}). Characterization results indicate that both V\begin{document}$_\textrm{O}$\end{document}-rich WO\begin{document}$_{3-x}$\end{document} and graphene contribute to the efficient OER performance. The activity of WO\begin{document}$_{3-x}$\end{document} for OER is decided by the synergistic effect between V\begin{document}$_\textrm{O}$\end{document} concentration and particle size. The graphene could not only disperse WO\begin{document}$_{3-x}$\end{document} nanoparticles, but also improve the holistic conductivity and promote electron transmission. This work supports a novel method for engineering WO\begin{document}$_{3-x}$\end{document}/graphene composite for highly efficient (photo-)electrocatalytic performance for OER.     

3D Macro-Micro-Mesoporous FeC\begin{document}$_{2}$\end{document}O\begin{document}$_{4}$\end{document}/Graphene Hydrogel Electrode for High-Performance 2.5 V Aqueous Asymmetric Supercapacitors

Distinguished from commonly used Fe\begin{document}$_2$\end{document}O\begin{document}$_3$\end{document} and Fe\begin{document}$_3$\end{document}O\begin{document}$_4$\end{document}, a three-dimensional multilevel macro-micro-mesoporous structure of FeC\begin{document}$_2$\end{document}O\begin{document}$_4$\end{document}/graphene composite has been prepared as binder-free electrode for supercapacitors. The as-prepared materials are composed of macroporous graphene and microporous/mesoporous ferrous oxalate. Generally, the decomposition voltage of water is 1.23 V and the practical voltage window limit is about 2 V for asymmetric supercapacitors in aqueous electrolytes. When FeC\begin{document}$_2$\end{document}O\begin{document}$_4$\end{document}/rGO hydrogel was used as the negative electrode and a pure rGO hydrogel was used as the positive electrode, the asymmetrical supercapacitor voltage window raised to 1.7 V in KOH (1.0 mol/L) electrolyte and reached up to 2.5 V in a neutral aqueous Na\begin{document}$_2$\end{document}SO\begin{document}$_4$\end{document} (1.0 mol/L) electrolyte. Correspondingly it also exhibits a high performance with an energy density of 59.7 Wh/kg. By means of combining a metal oxide that owns micro-mesoporous structure with graphene, this work provides a new opportunity for preparing high-voltage aqueous asymmetric supercapacitors without addition of conductive agent and binder.     

Redox Controllable Switch of Crystalline Phase and Physical Property in SrVO\begin{document}$_{x}$\end{document} Epitaxial Films

Transition-metal oxides have attracted much attention due to its abundant crystalline phases and intriguing physical properties. However, some of these compounds are difficult to be fabricated directly in film form due to the ease of valence variation of transition-metal elements. In this work, we reveal the reversible structural transition between SrVO\begin{document}$_3$\end{document} and Sr\begin{document}$_2$\end{document}V\begin{document}$_2$\end{document}O\begin{document}$_7$\end{document} films via thermal treatment in oxygen atmosphere or in vacuum. Based on this, Sr\begin{document}$_2$\end{document}V\begin{document}$_2$\end{document}O\begin{document}$_7$\end{document} epitaxial films are successfully synthesized and studied. Property characterizations show that the semitransparent and metallic SrVO\begin{document}$_3$\end{document} could reversibly switch into transparent and insulating Sr\begin{document}$_2$\end{document}V\begin{document}$_2$\end{document}O\begin{document}$_7$\end{document}, implying potential applications in controllable electronic and optical devices.     

DFT Study on the Catalytic Role of \begin{document}$\alpha$\end{document}-MoC(100) in Methanol Steam Reforming

In this work, we investigated the methanol steam reforming (MSR) reaction (CH\begin{document}$_3$\end{document}OH+H\begin{document}$_2$\end{document}O \begin{document}$\rightarrow$\end{document}CO\begin{document}$_2$\end{document}+3H\begin{document}$_2$\end{document}) catalyzed by \begin{document}$\alpha$\end{document}-MoC by means of density functional theory calculations. The adsorption behavior of the relevant intermediates and the kinetics of the elementary steps in the MSR reaction are systematically investigated. The results show that, on the \begin{document}$\alpha$\end{document}-MoC(100) surface, the O\begin{document}$-$\end{document}H bond cleavage of CH\begin{document}$_3$\end{document}OH leads to CH\begin{document}$_3$\end{document}O, which subsequently dehydrogenates to CH\begin{document}$_2$\end{document}O. Then, the formation of CH\begin{document}$_2$\end{document}OOH between CH\begin{document}$_2$\end{document}O and OH is favored over the decomposition to CHO and H. The sequential dehydrogenation of CH\begin{document}$_2$\end{document}OOH results in a high selectivity for CO\begin{document}$_2$\end{document}. In contrast, the over-strong adsorption of the CH\begin{document}$_2$\end{document}O intermediate on the \begin{document}$\alpha$\end{document}-MoC(111) surface leads to its dehydrogenation to CO product. In addition, we found that OH species, which is produced from the facile water activation, help the O\begin{document}$-$\end{document}H bond breaking of intermediates by lowering the reaction energy barrier. This work not only reveals the catalytic role played by \begin{document}$\alpha$\end{document}-MoC(100) in the MSR reaction, but also provides theoretical guidance for the design of \begin{document}$\alpha$\end{document}-MoC-based catalysts.     

Electrochemical Study on Hydrogen Evolution and \begin{document}${\rm C}\rm{O}$\end{document}\begin{document}$_\rm{2}$\end{document} Reduction on Pt Electrode in Acid Solutions with Different pH

Hydrogen evolution reaction (HER) is the major cathodic reaction which competes \begin{document}${\rm C}\rm{O}_\rm{2}$\end{document} reduction reaction (\begin{document}${\rm C}\rm{O}_\rm{2}$\end{document} RR) on Pt electrode. Molecular level understanding on how these two reactions interact with each other and what the key factors are of \begin{document}${\rm C}\rm{O}_\rm{2}$\end{document} RR kinetics and selectivity will be of great help in optimizing electrolysers for \begin{document}${\rm C}\rm{O}_\rm{2}$\end{document} reduction. In this work, we report our results of hydrogen evolution and \begin{document}${\rm C}\rm{O}_\rm{2}$\end{document} reduction on Pt(111) and Pt film electrodes in \begin{document}${\rm C}\rm{O}_\rm{2}$\end{document} saturated acid solution by cyclic voltammetry and infrared spectroscopy. In solution with pH > 2, the major process is HER and the interfacial pH increases abruptly during HER; \begin{document}${\rm C}\rm{O}_\rm{ad}$\end{document} is the only adsorbed intermediate detected in \begin{document}${\rm C}\rm{O}_\rm{2}$\end{document} reduction by infrared spectroscopy; the rate for \begin{document}${\rm C}\rm{O}_\rm{ad}$\end{document} formation increases with the coverage of UPD-H and reaches maximum at the onset potential for HER; the decrease of \begin{document}${\rm C}\rm{O}_\rm{ad}$\end{document} formation under HER is attributed to the available limited sites and the limited residence time for the reduction intermediate (\begin{document}$\rm{H}_\rm{ad}$\end{document}), which is necessary for \begin{document}${\rm C}\rm{O}_\rm{2}$\end{document} adsorption and reduction.     

Roaming Dynamics of H+C\begin{document}$_{2}$\end{document}D\begin{document}$_{2}$\end{document} Reaction on Fundamental-Invariant Neural Network Potential Energy Surface

We performed extensive quasiclassical trajectory calculations for the H+C\begin{document}$_2$\end{document}D\begin{document}$_2$\end{document}\begin{document}$\rightarrow$\end{document}HD+C\begin{document}$_2$\end{document}D/D\begin{document}$_2$\end{document}+C\begin{document}$_2$\end{document}H reaction based on a recently developed, global and accurate potential energy surface by the fundamental-invariant neural network method. The direct abstraction pathway plays a minor role in the overall reactivity, which can be negligible as compared with the roaming pathways. The acetylene-facilitated roaming pathway dominates the reactivity, with very small contributions from the vinylidene-facilitated roaming. Although the roaming pathways proceed via the short-lived or long-lived complex forming process, the computed branching ratio of product HD to D\begin{document}$_2$\end{document} is not far away from 2:1, implying roaming dynamics for this reaction is mainly contributed from the long-lived complex-forming process. The resulting angular distributions for the two product channels are also quite different. These computational results give valuable insights into the significance and isotope effects of roaming dynamics in the biomolecular reactions.     

Effects of Soluble Ions on Hydration of Calcined Flue Gas Desulphurization Gypsum

The influence of various water soluble cations (K\begin{document}$^+$\end{document}, Na\begin{document}$^+$\end{document}, Ca\begin{document}$^{2+}$\end{document}, Mg\begin{document}$^{2+}$\end{document}) on the hydration of calcined flue gas desulphurization gypsum was investigated. The results show that all cations but Ca\begin{document}$^{2+}$\end{document} can accelerate the hydration of bassanite. The final crystal size is not largely influenced by different salts, except for Na\begin{document}$^+$\end{document}, where the giant crystal with length of \begin{document}$>$\end{document}130 μm is observed. Current study clarifies the influence of different ions on the hydration of bassanite, which could provide sufficient guide for the pre-treatment of original flue gas desulphurization gypsum before actual application.     

Intra- and Intermolecular Rovibrational States of HCl-H\begin{document}$ _\textbf{2} $\end{document}O and DCl-H\begin{document}$ _\textbf{2} $\end{document}O Dimers from Full-Dimensional and Fully Coupled Quantum Calculations

We report full-dimensional and fully coupled quantum bound-state calculations of the \begin{document}$ J $\end{document} = 1 intra- and intermolecular rovibrational states of two isotopologues of the hydrogen chloride-water dimer, HCl-H\begin{document}$ _2 $\end{document}O (HH) and DCl-H\begin{document}$ _2 $\end{document}O (DH). The present study complements our recent theoretical investigations of the \begin{document}$ J $\end{document} = 0 nine-dimensional (9D) vibrational level structure of these and two other H/D isotopologues of this noncovalently bound molecular complex, and employs the same accurate 9D permutation invariant polynomial-neural network potential energy surface. The calculations yield all intramolecular vibrational fundamentals of the HH and DH dimers and the low-energy intermolecular rovibrational states in these intramolecular vibrational manifolds. The results are compared with those of the 9D \begin{document}$ J $\end{document} = 0 calculations of the same dimers. The energy differences between the \begin{document}$ K $\end{document} = 1 and \begin{document}$ K $\end{document} = 0 eigenstates exhibit pronounced variations with the intermolecular rovibrational states, for which a qualitative explanation is provided.     

Effects of Surface Defects on Adsorption of CO and Methyl Groups on Rutile TiO$_\text{2}$(110)

The interaction of reactants with catalysts has always been an important subject for catalytic reactions. As a promising catalyst with versatile applications, titania has been intensively studied for decades. In this work we have investigated the role of bridge bonded oxygen vacancy (O\begin{document}$_\textrm{v}$\end{document}) in methyl groups and carbon monoxide (CO) adsorption on rutile TiO\begin{document}$_2$\end{document}(110) (R-TiO\begin{document}$_2$\end{document}(110)) with the temperature programmed desorption technique. The results show a clear different tendency of the desorption of methyl groups adsorbed on bridge bonded oxygen (O\begin{document}$_\textrm{b}$\end{document}), and CO molecules on the five coordinate Ti\begin{document}$^{4+}$\end{document} sites (Ti\begin{document}$_{5\textrm{c}}$\end{document}) as the O\begin{document}$_\textrm{v}$\end{document} concentration changes, suggesting that the surface defects may have crucial influence on the absorption of species on different sites of R-TiO\begin{document}$_2$\end{document}(110).     

Theoretical Study of Hydrogen-Bond Interactions of CO\begin{document}$ _\textbf{2} $\end{document} in Organic Absorbent 1, 3-Diphenylguanidine

Carbon capture and storage technology have been rapidly developed to reduce the carbon dioxide (CO\begin{document}$ _2 $\end{document}) emission into the environment. It has been found that the amine-based organic molecules could absorb CO\begin{document}$ _2 $\end{document} efficiently and form the bicarbonate salts through hydrogen-bond (H-bond) interactions. Recently, the aqueous 1, 3-diphenylguanidine (DPG) solution was developed to trap and convert CO\begin{document}$ _2 $\end{document} to valuable chemicals under ambient conditions. However, how the DPG molecules interact with CO\begin{document}$ _2 $\end{document} in an aqueous solution remains unclear. In this work, we perform molecular dynamics simulations to explore the atomistic details of CO\begin{document}$ _2 $\end{document} in the aqueous DPG. The simulated results reveal that the protonated DPGH\begin{document}$ ^+ $\end{document} and the bicarbonate anions prefer to form complexes through different H-bond patterns. These double H-bonds are quite stable in thermodynamics, as indicated from the accurate density functional theory calculations. This study is helpful to understand the catalytic mechanism of CO\begin{document}$ _2 $\end{document} conversion in the aqueous DPG.     

NH\begin{document}$ _\textbf{2} $\end{document}-MIL-53(Al) for Simultaneous Removal and Detection of Fluoride Anions

To address the limitations of the separate fluoride removal or detection in the existing materials, herein, amino-decorated metal organic frameworks NH\begin{document}$ _2 $\end{document}-MIL-53(Al) have been succinctly fabricated by a sol-hydrothermal method for simultaneous removal and determination of fluoride. As a consequence, the proposed NH\begin{document}$ _2 $\end{document}-MIL-53(Al) features high uptake capacity (202.5 mg/g) as well as fast adsorption rate, being capable of treating 5 ppm of fluoride solution to below the permitted threshold in drinking water within 15 min. Specifically, the specific binding between fluoride and NH\begin{document}$ _2 $\end{document}-MIL-53(Al) results in the release of fluorescent ligand NH\begin{document}$ _2 $\end{document}-BDC, conducive to the determination of fluoride via a concentration-dependent fluorescence enhancement effect. As expected, the resulting NH\begin{document}$ _2 $\end{document}-MIL-53(Al) sensor exhibits selective and sensitive detection (with the detection limit of 0.31 \begin{document}$ \mu $\end{document}mol/L) toward fluoride accompanied with a wide response interval (0.5-100 \begin{document}$ \mu $\end{document}mol/L). More importantly, the developed sensor can be utilized for fluoride detection in practical water systems with satisfying recoveries from 89.6% to 116.1%, confirming its feasibility in monitoring the practical fluoride-contaminated waters.      

Imaging Photodissociation Dynamics of MgO at 193 nm

In this work, we used time-sliced ion velocity imaging to study the photodissociation dynamics of MgO at \mbox{193 nm}. Three dissociation pathways are found through the speed and angular distributions of magnesium. One pathway is the one-photon excitation of MgO(X\begin{document}$^1\Sigma^+$\end{document}) to MgO(G\begin{document}$^1\Pi$\end{document}) followed by spin-orbit coupling between the G\begin{document}$^1\Pi$\end{document}, 3\begin{document}$^3\Pi$\end{document} and 1\begin{document}$^5\Pi$\end{document} states, and finally dissociated to the Mg(\begin{document}$^3$\end{document}P\begin{document}$_\textrm{u}$\end{document})+O(\begin{document}$^3$\end{document}P\begin{document}$_\textrm{g}$\end{document}) along the 1\begin{document}$^5\Pi$\end{document} surface. The other two pathways are one-photon absorption of MgO(A\begin{document}$^1\Pi$\end{document}) state to MgO(G\begin{document}$^1\Pi$\end{document}) and MgO(4\begin{document}$^1\Pi$\end{document}) state to dissociate into Mg(\begin{document}$^3$\end{document}P\begin{document}$_\textrm{u}$\end{document})+O(\begin{document}$^3$\end{document}P\begin{document}$_\textrm{g}$\end{document}) and Mg(\begin{document}$^1$\end{document}S\begin{document}$_\textrm{g}$\end{document})+O(\begin{document}$^1$\end{document}S\begin{document}$_\textrm{g}$\end{document}), respectively. The anisotropy parameters of the dissociation pathways are related to the lifetime of the vibrational energy levels and the coupling of rotational and vibronic spin-orbit states. The total kinetic energy analysis gives \begin{document}$D_0$\end{document}(Mg\begin{document}$-$\end{document}O)=21645\begin{document}$\pm$\end{document}50 cm\begin{document}$^{-1}$\end{document}.