Bibliography



Electronic structure
Crystal-Field Theory
Ballhausen, C. J.
Introduction to ligand field theory
McGraw-Hill, 1962.
Companion, A. L. and Komarynsky, M. A.
Crystal field splitting diagrams
J. Chem. Ed., 1964, Vol. 41(5), pp. 257-262. link
Molecular orbitals of TM complexes (reference book)
Albright, T., Burdett, J. and Whangbo, M.-H.
Orbital interactions in chemistry (2nd Edition)
John Wiley and Sons, Inc., 2013. link
Synthesis of Fischer carbene complexes of Mo
Harvey, D. F. and Brown, M. F.
Molybdenum carbene complexes: Cyclopropanation of electron-poor olefins
Tetrahedron Lett., 1990, Vol. 31(18), pp. 2529-2532. link

Organic Chemistry Reactions
Woodward-Hoffmann rules (reference book)
Woodward, R. B. and Hoffmann, R.
The conservation of orbital symmetry
Academic Press Inc., 1970. link
Molecular orbital theory
Anh, N. T.
Frontier Orbitals: A Practical Manual
Wiley-VCH, 2007.

Molecular Structure: Inorganic compounds
Fe(C2O4)3
Junk, P. C.
Supramolecular interactions in the X-ray crystal structure of potassium tris(oxalato)ferrate(III) trihydrate
J. Coord. Chem., 2005, Vol. 58(4), pp. 355-361. link
Fe(CO)5
Braga, D., Grepioni, F. and Orpen, A. G.
Nickel carbonyl [Ni(CO)4] and iron carbonyl [Fe(CO)5]: molecular structures in the solid state
Organometallics, 1993, Vol. 12(4), pp. 1481-1483. link
Ferrocene
Takusagawa, F. and Koetzle, T. F.
A neutron diffraction study of the crystal structure of ferrocene
Acta Crystallogr., Sect. B: Struct. Sci, 1979, Vol. 35(5), pp. 1074-1081. link
[Co(edta)]-
Weakliem, H. A. and Hoard, J. L.
The Structures of Ammonium and Rubidium Ethylenediaminetetraacetatocobaltate(III)
J. Am. Chem. Soc., 1959, Vol. 81(3), pp. 549-555. link
[NbF7]2-
Brown, G. M. and Walker, L. A.
Refinement of the structure of potassium heptafluoroniobate, K2NbF7, from neutron-diffraction data
Acta Crystallogr., 1966, Vol. 20(2), pp. 220-229. link
[Ru(bpy)3]2+
Rillema, D. P. and Jones, D. S.
Structure of tris(2,2′-bipyridyl)ruthenium(II) hexafluorophosphate, [Ru(bipy)3][PF6]2; X-ray crystallographic determination
J. Chem. Soc., Chem. Commun., 1979(19), pp. 849-851. link
[Ru(acac)3]3+
Chao, G. K.-J., Sime, R. L. and Sime, R. J.
The crystal and molecular structure of tris-acetylacetonatoruthenium(III)
Acta Crystallogr. B, 1973, Vol. 29(12), pp. 2845-2849. link
[TaF7]2-
Torardi, C. C., Brixner, L. H. and Blasse, G.
Structure and luminescence of K2TaF7 and K2NbF7
J. Solid State Chem., 1987, Vol. 67(1), pp. 21-25. link
[Ta(bdt)3]-
Martin, J. L. and Takats, J.
Crystal and molecular structure of tetraphenylarsonium tris(benzenedithiolato)tantalate(V)
Inorg. Chem., 1975, Vol. 14(6), pp. 1358-1364. link
Re(C14H10S2)3
Eisenberg, R. and Ibers, J. A.
Trigonal Prismatic Coordination. The Crystal and Molecular Structure of Tris(cis-1,2-diphenylethene-1,2-dithiolato)rhenium
Inorg. Chem., 1966, Vol. 5(3), pp. 411-416. link

Solid-state and Nano compounds
Jmol
Hanson, R. M.
Jmol – a paradigm shift in crystallographic visualization
J. Appl. Crystallogr., International Union of Crystallography, 2010, Vol. 43(5), pp. 1250-1260. link
Fe3C (cementite)
Herbstein, F. H. and Smuts, J.
Comparison of X-ray and neutron-diffraction refinements of the structure of cementite Fe3C
Acta Crystallogr., 1964, Vol. 17(10), pp. 1331-1332. link
Cu2O (copper(I) oxide)
Niggli, P.
XII. Die Kristallstruktur einiger Oxyde I
Z. Kristallogr. Cryst. Mater., 1922, Vol. 57(1-6), pp. 253-299. link
TiAlNi2
Yan, X., Grytsiv, A., Rogl, P., Pomjakushin, V. and Palm, M.
The Heusler Phase Ti25(Fe50 - x Ni x )Al25 (0 ≤ x ≤ 50); Structure and Constitution
J. Phase Equilib. Diffus., 2008, Vol. 29(6), pp. 500-508. link
SmCo5
Buschow, K. H. J. and Van der Goot, A. S.
Intermetallic compounds in the system samarium-cobalt
J. Less Common Met., 1968, Vol. 14(3), pp. 323-328. link
[CuCl4]2-
Kelley, A., Nalla, S. and Bond, M. R.
The square-planar to flattened-tetrahedral [CuX4]2- (X = Cl, Br) structural phase transition in 1,2,6-trimethylpyridinium salts
Acta. Crystallogr. B. Struct. Sci. Cryst. Eng. Mater., 2015, Vol. 71(1), pp. 48-60. link
Strasser, C. E., Cronje, S. and Raubenheimer, H. G.
The low-temperature phase of diethylammonium tetrachloridocuprate(II)
Acta Crystallogr., Sect. E: Struct. Rep. Online, 2007, Vol. 63(12), pp. m2915-m2916. link
Polyhedra and shapes of NPs
Science of Crystal Structures: Highlights in Crystallography
Hargittai, I. & Hargittai, B. (ed.)
Springer International Publishing, 2015. link
Cromwell, P. R.
Polyhedra
Cambridge University Press, 1999.
Weisstein, E. W.
CRC concise encyclopedia of mathematics
Chapman & Hall/CRC, 2003. link
Ford, W. E.
Dana's Textbook of Mineralogy: With an Extended Treatise on Crystallography & Physical Mineralogy
CBS Publishers & CBS Publishers & Distributors, 2006.
Cusinato, L., del Rosal, I. and Poteau, R.
Shape, electronic structure and steric effects of organometallic nanocatalysts: relevant tools to improve the synergy between theory and experiments
Dalton Trans., 2017, Vol. 46, pp. 378-395. link

Vibrational Spectroscopy
Infrared spectra
Coates, J.
Interpretation of Infrared Spectra, A Practical Approach
in: Encyclopedia of Analytical Chemistry (eds Meyers, R. A. and McKelvy, M. L.)
American Cancer Society, 2006. link
Vibrational spectroscopy
Lin-Vien, D., Colthup, N. B., Fateley, W. G. and Grasselli, J. G.
The Handbook of Infrared and Raman Characteristic Frequencies of Organic Molecules
Academic Press, 1991. link
cis- and trans-1,2-dichloroethene
McClain, B. L., Clark, S. M., Gabriel, R. L. and Ben-Amotz, D.
Educational Applications of Infrared and Raman Spectroscopy: A Comparison of Experiment and Theory
J. Chem. Ed., 2000, Vol. 77(5), pp. 654-660. link
Craig, N. C. and Lacuesta, N. N.
Applications of Group Theory: Infrared and Raman Spectra of the Isomers of 1,2-Dichloroethylene. A Physical Chemistry Experiment
J. Chem. Ed., 2004, Vol. 81(8), pp. 1199-1205. link
Bernstein, H. J. and Ramsay, D. A.
Vibration Spectra of Cis and Trans C2H2Cl2 and C2D2Cl2
J. Chem. Phys., 1949, Vol. 17(6), pp. 556-565. link
Propanoic Acid
Haurie, M. and Novak, A.
Spectres de vibration des molécules CH3COOH, CH3COOD, CD3COOH et CD3COOD. II - Spectres infrarouges et Raman des dimères
J. Chim. Phys., 1965, Vol. 62, pp. 146-157. link (not the same compound, but very helpful)
Benzaldehyde
Green, J. H. S. and Harrison, D. J.
Vibrational spectra of benzene derivatives — XVI. Benzaldehyde and mono-substituted benzaldehydes
Spectrochim. Acta, Part A, 1976, Vol. 32(6), pp. 1265-1277. link
Benzonitrile
Jakobsen, R. J.
The vibrational spectra of benzonitrile-d5
Spectrochim. Acta, 1965, Vol. 21(1), pp. 127-131. link

NMR Spectroscopy
NMR reference book
Günther, H.
NMR Spectroscopy: Basic Principles, Concepts, and Applications in Chemistry
Wiley, 2013. link