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CHM4319 Lecture : 34_optimization_part_2

Canada

Bio-Inorganic Chemistry

Chemistry

University of Ottawa

Introduction to Biology II

Introduction to Business

Why do the values of pre-optimization and optimization change the value of the bond length and even bond angle what is happening molecularly <picture><source srcset="https://prealliance-textbook-qa.oneclass.com/qa_images/homework_help/question/qa_images/120/12033740.webp" type="image/webp"></source><img src="https://prealliance-textbook-qa.oneclass.com/qa_images/homework_help/question/qa_images/120/12033740.png" alt=""></picture> <div id="can" class="hidden">Molecule Preoptimization Preoptimization Optimization Optimization Bond Length Bond Angle gth Bond Angle o 0.948 106.465 o 107.968ã 109.471 o 180 Â° H2O O-H-0.96 O-H-O-109.47ã NH N-H= 1 H-N-H- 109.47 0 1.002 CH4 C-H= 1.07 C-H-C 109.47 Â° 1.084 N-N 1.092 N-N= 180ã 1.134 </div>

Carry out geometry optimizations on [CoCl4]2-,low spin [Co(NH3)6]3+, low spin [Co(PH3)6]3+,Explain which of these compounds would you expect to be the most yellow in appearance.

Carry out geometry optimizations on [CoCl4]2-,low spin [Co(NH3)6]3+, low spin [Co(PH3)6]3+ Explain the differences between the M-L bond distances for the 3 compounds.

CHM4319 Lecture : 34_optimization_part_2

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