Crystal and molecular structure of .DELTA..DELTA..DELTA..LAMBDA.-cis, trans(N-O)-uns-cis-ethylenediamine-N,N'-diacetato((R)-1,2-diaminopropane)cobalt(III) chloride monohydrate.  Effect of denticity on chelate ring strain

Halloran, Leon J.; Caputo, Ruth E.; Willett, Roger D.; Legg, J. Ivan

doi:10.1021/ic50150a004

Cited by 44 publications

(9 citation statements)

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“…Absorption spectroscopy (Fig. 1 and Table 3) indicates that -1050 (7) 992 (7) 1195( 7) 734(8) -650(9) -797 ( 10) 684( 10) 608(9) -730(7) -2342( 13) -1167 (10) 154( 16) 1408( 1 1) 2573( 13 4) 2037( 6) 1586( 5) 1990( 5) 1552( 5) 1928( 7) 1637( 1) 2279( 6) 1280( 7) 1730( 7) 1235( 9)…”

Section: Resultsunclassified

“…Z 1456( 1) -239(6) -2573 (6) 3 143( 6) 5285( 7) 326( 7) 2274 (7) 729( 7) 2487(8) -1410(9) -1300 (10) 978( 11) 1392( 12) 3893 ( 10) 41 50( 8) 1447( 16) 1801 (10) I 844 ( 10) 1763 ( 10) 2443( 13) 6483( 3) 5820( 12) 5841( 13) 7940( 1 1) 6382(29) every complex adopts a trans-N402 geometry, in accord with the shoulder in the first absorption region. The very simple 13C NMR spectra (Table 4) indicate that all complexes possess C , symmetry, suggesting symmetrical-cis (sym-cis) geometries.…”

Section: Resultsmentioning

confidence: 99%

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Efficient stereochemical regulation of octahedral cobalt(III) complexes by a chiral bidentate ligand. Part 2. Remarkable effect of the chelate-ring size in the stereoselective formation of sym-cis-(ethylenediamine-N,N′-diacetato)(pentane-2,4-diamine)cobalt(III)

Yashiro¹,

Murata²,

Sato³

et al. 1994

J. Chem. Soc., Dalton Trans.

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Section: Resultsunclassified

Section: Resultsmentioning

confidence: 99%

Efficient stereochemical regulation of octahedral cobalt(III) complexes by a chiral bidentate ligand. Part 2. Remarkable effect of the chelate-ring size in the stereoselective formation of sym-cis-(ethylenediamine-N,N′-diacetato)(pentane-2,4-diamine)cobalt(III)

Yashiro¹,

Murata²,

Sato³

et al. 1994

J. Chem. Soc., Dalton Trans.

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“…1. The bond lengths and angles in the coordination sphere of the Co m atom are not significantly different (Table 2) from those in other conI-carbonato complexes (Palmer & van Eldik, 1983) or in other CoUI-edda complexes, such as [Co(edda)(picolinato)] (Billing, Dobson, Pattrick & Carlton, 1991), [Co(edda)(R-1,2-diaminopropane)]Cl.-H20 (Halloran, Caputo, Willett & Legg, 1975) and [Co(edda)(ethylenediamine)]C104 (Chuklanova, Polynova, Sobolev & Porai-Koshits, 1984). The complex anion crystallizes as the A geometric isomer.…”

mentioning

confidence: 83%

Guanidinium β-cis-(Carbonato-O,O')(N,N'-ethylenediaminediacetato-N,N',O,O'')cobaltate(III)

Egan¹,

Baldwin²,

Denner³

et al. 1995

Acta Crystallogr C

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“…The stereochemisty of octahedral complexes containing quadridentate edda 2− ligand has been described by Legg et al [6], and reiterated by many subsequent authors, notably by Kaizaki et al [44,45]. However, CFF modelling requires (particularly in elucidating statistical thermodynamics) a consideration of all theoretically possible configurations and conformations, which represent local minima on the potential energy surface of [Cr(edda)(acac)].…”

Section: Modelingmentioning

confidence: 96%

“…It was already known that the s-cis geometry of the chelating edda ligand is favoured in most Co(III) and Cr(III) complexes [2][3][4][5]. It was suggested that the observed strain of the diamine ring in edda may be a contributing factor in determining the configuration of the edda ligand [6].…”

Section: Introductionmentioning

confidence: 99%

Crystal structure and conformational analysis of s-cis-(acetylacetonato)(ethylenediamine-N,N′-diacetato)-chromium(III)

et al. 2011

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The crystal structure of [Cr(edda)(acac)] (edda = ethylediamine-N,N'-diacetate; acac = acetylacetonato) has been determined by a single crystal X-ray diffraction study at 150 K. The chromium ion is in a distorted octahedral environment coordinated by two N and two O atoms of chelating edda and two O atoms of acac, resulting in s-cis configuration. The complex crystallizes in the space group P2(1)/c of the monoclinic system in a cell of dimensions a = 10.2588(9), b = 15.801(3), c = 8.7015(11) Å, β =101.201(9)° and Z = 4. The mean Cr-N(edda), Cr-O(edda) and Cr-O(acac) bond distances are 2.0829(14), 1.9678(11) and 1.9477(11) Å while the angles O-Cr-O of edda and O-Cr-O of acac are 171.47(5) and 92.72(5)°, respectively. The crystal structure is stabilized by N-H···O hydrogen bonds linking [Cr(edda)(acac)] molecules in distinct linear strands. The visible electronic and IR spectroscopic properties are also discussed. An improved, physically more realistic force field, Vibrationally Optimized Force Field (VOFF), capable of reproducing structural and vibrational properties of [Cr(edda)(acac)] was developed and its transferability demonstrated on selected chromium(III) complexes with similar ligands.

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Crystal and molecular structure of .DELTA..DELTA..DELTA..LAMBDA.-cis, trans(N-O)-uns-cis-ethylenediamine-N,N'-diacetato((R)-1,2-diaminopropane)cobalt(III) chloride monohydrate. Effect of denticity on chelate ring strain

Cited by 44 publications

References 54 publications

Efficient stereochemical regulation of octahedral cobalt(III) complexes by a chiral bidentate ligand. Part 2. Remarkable effect of the chelate-ring size in the stereoselective formation of sym-cis-(ethylenediamine-N,N′-diacetato)(pentane-2,4-diamine)cobalt(III)

Efficient stereochemical regulation of octahedral cobalt(III) complexes by a chiral bidentate ligand. Part 2. Remarkable effect of the chelate-ring size in the stereoselective formation of sym-cis-(ethylenediamine-N,N′-diacetato)(pentane-2,4-diamine)cobalt(III)

Guanidinium β-cis-(Carbonato-O,O')(N,N'-ethylenediaminediacetato-N,N',O,O'')cobaltate(III)

Crystal structure and conformational analysis of s-cis-(acetylacetonato)(ethylenediamine-N,N′-diacetato)-chromium(III)

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