HOMO-LUMO energy gap control in platinum(II) biphenyl complexes containing 2,2'-bipyridine ligands.

John F Dobson, Giovanni Vignale, Mukunda P Das, None, Electronic density functional theory : recent progress and new directions Plenum Press. ,(1998)

Joanne Dyer, Werner J. Blau, Colin G. Coates, Caitriona M. Creely, John D. Gavey, Michael W. George, David C. Grills, Sarah Hudson, John M. Kelly, Pavel Matousek, John J. McGarvey, Jonathan McMaster, Anthony W. Parker, Michael Towrie, Julia A. Weinstein, The photophysics of fac-[Re(CO)3(dppz)(py)]+ in CH3CN: a comparative picosecond flash photolysis, transient infrared, transient resonance Raman and density functional theoretical study Photochemical and Photobiological Sciences. ,vol. 2, pp. 542- 554 ,(2003) , 10.1039/B212628A

Irina V. Novozhilova, Anatoliy V. Volkov, Philip Coppens, Theoretical Analysis of the Triplet Excited State of the [Pt2(H2P2O5)4]4- Ion and Comparison with Time-Resolved X-ray and Spectroscopic Results Journal of the American Chemical Society. ,vol. 125, pp. 1079- 1087 ,(2003) , 10.1021/JA027857B

D. Paul Rillema, Arvin J. Cruz, Brandon J. Tasset, Curtis Moore, Khamis Siam, Wei Huang, Structural properties of platinum(II) biphenyl complexes containing 1,10-phenanthroline derivatives Journal of Molecular Structure. ,vol. 1041, pp. 82- 91 ,(2013) , 10.1016/J.MOLSTRUC.2013.03.006

Dana M. Dattelbaum, Richard L. Martin, Jon R. Schoonover, Thomas J. Meyer, Molecular and Electronic Structure in the Metal-to-Ligand Charge Transfer Excited States of fac-[Re(4,4‘-X2bpy)(CO)3(4-Etpy)]+* (X = CH3, H, Co2Et). Application of Density Functional Theory and Time-Resolved Infrared Spectroscopy Journal of Physical Chemistry A. ,vol. 108, pp. 3518- 3526 ,(2004) , 10.1021/JP037095M

Pawel M. Kozlowski, Jadwiga Kuta, Takehiro Ohta, Teizo Kitagawa, Resonance Raman enhancement of FeIV=O stretch in high-valent iron porphyrins: an insight from TD-DFT calculations. Journal of Inorganic Biochemistry. ,vol. 100, pp. 744- 750 ,(2006) , 10.1016/J.JINORGBIO.2006.01.021

John M. Villegas, Stanislav R. Stoyanov, D. P. Rillema, Synthesis and photochemistry of Ru(II) complexes containing phenanthroline-based ligands with fused pyrrole rings. Inorganic Chemistry. ,vol. 41, pp. 6688- 6694 ,(2002) , 10.1021/IC020436A

John P. Perdew, Kieron Burke, Matthias Ernzerhof, Generalized Gradient Approximation Made Simple Physical Review Letters. ,vol. 77, pp. 3865- 3868 ,(1996) , 10.1103/PHYSREVLETT.77.3865

Roberto Cammi, Benedetta Mennucci, Jacopo Tomasi, Fast Evaluation of Geometries and Properties of Excited Molecules in Solution: A Tamm-Dancoff Model with Application to 4-Dimethylaminobenzonitrile Journal of Physical Chemistry A. ,vol. 104, pp. 5631- 5637 ,(2000) , 10.1021/JP000156L

Maria Rosaria Plutino, Luigi Monsu' Scolaro, Alberto Albinati, Raffaello Romeo, Atropisomerization, C-H activation, and dissociative substitution at some biphenyl platinum(II) complexes. Journal of the American Chemical Society. ,vol. 126, pp. 6470- 6484 ,(2004) , 10.1021/JA030486U