Bond angles in transition-metal tricarbonyl compounds: A test of the theory of hybrid bond orbitals | Zendy

Linus Pauling | Zendy

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Bond angles in transition-metal tricarbonyl compounds: A test of the theory of hybrid bond orbitals

Author(s) -

Linus Pauling

Publication year - 1978

Publication title -

proceedings of the national academy of sciences

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 5.011

H-Index - 771

eISSN - 1091-6490

pISSN - 0027-8424

DOI - 10.1073/pnas.75.1.12

Subject(s) - covalent bond , transition metal , chemistry , atomic orbital , bond order , atom (system on chip) , metal , bond length , bond strength , computational chemistry , orbital hybridisation , chemical bond , bond energy , pi bond , crystallography , three center two electron bond , molecular orbital , molecular orbital theory , molecule , physics , quantum mechanics , organic chemistry , crystal structure , adhesive , layer (electronics) , computer science , embedded system , catalysis , electron

The theory of hybrid bond orbitals is used to calculate equations giving the value of the bond angle OC—M—CO in relation to the bond number of the metal—carbonyl bond for tricarbonyl groups in which the transition-metal atom is enneacovalent or octacovalent and the group has approximate trigonal symmetry. For cobalt and iron and their congeners the average experimental values lie within about 1° of the theoretical values for enneacovalence, which are 101.9° for Co(CO)3 and 94.5° for Fe(CO)3 . This agreement provides strong support for the theory. For Mn(CO)3 and Cr(CO)3 the experimental values indicate the average covalence to be about 8.4 and 7.7, respectively, in agreement with considerations based on the electroneutrality principle.

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