Multiple and single bond energies in inorganic molecules |
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| Affiliation: | 1. State Key Laboratory of New Ceramics and Fine Processing, School of Materials Science and Engineering, Tsinghua University, Beijing, 100084, China;2. Department of Materials Application, AVIC Manufacturing Technology Research Institute, Beijing, 100024, China;1. College of Electrical and Information Engineering, Hunan University, Changsha, 410082, China;2. State Key Laboratory of Electronic Thin Films and Integrated Devices, University of Electronic Science and Technology of China, Chengdu, 610054, China;3. National Engineering Research Center of Electromagnetic Radiation Control Materials, University of Electronic Science and Technology of China, Chengdu, 610054, China;4. School of Physics and Electronics, Hunan University, Changsha, 410082, China;1. School of Environmental and Material Engineering, Yantai University, Yantai, 264005, Shandong, China;2. Yantai University, Yantai, 264005, Shandong, China;3. School of Materials Science and Engineering, University of Jinan, Jinan, 250022, Shandong, China;4. State Key Laboratory of New Ceramics and Fine Processing, School of Materials Science and Engineering, Tsinghua University, Beijing, 100084, China;5. SDEE Hitachi High-Voltage Switchgear Co.,Ltd., Jinan, 250000, Shandong, China |
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| Abstract: | The new method of calculating bond energies recently reported has now been extended to include multiple bonds. For carbon-carbon double and triple bonds the energy is 1·50 and 1·75 times the single bond energy when corrected for the multiple bond length. These multiplicity factors are used to calculate the single bond energies for nitrogen and oxygen that would correspond to the experimental bond lengths and dissociation energies of N2 and O2. Three different single bond energy contributions each for nitrogen and oxygen are thus determined, and estimates are made for similar values for fluorine, phosphorus, sulfur, chlorine, bromine and iodine. The possible significance of such values is discussed in terms of bond energy calculations for 141 gaseous molecules, based on a consideration of the effect of lone pair electrons in bond weakening. Calculated bond energies for CO, CO2, NO, NO2, and other compounds are in excellent agreement with the experimental values. |
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