Shape maps and polyhedral interconversion paths in transition metal chemistry

S Alvarez, P Alemany, D Casanova, J Cirera… - Coordination chemistry …, 2005 - Elsevier
A systematic study of the stereochemistry of the coordination sphere of transition metal
compounds has been carried out recently from the point of view of the continuous shape …

[BUKU][B] Orbital interactions in chemistry

TA Albright, JK Burdett, MH Whangbo - 2013 - books.google.com
Explains the underlying structure that unites all disciplinesin chemistry Now in its second
edition, this book explores organic, organometallic, inorganic, solid state, and materials …

The rich stereochemistry of eight‐vertex polyhedra: a continuous shape measures study

D Casanova, M Llunell, P Alemany… - Chemistry–A European …, 2005 - Wiley Online Library
A stereochemical study of polyhedral eight‐vertex structures is presented, based on
continuous shape measures (CShM). Reference polyhedra, shape maps, and minimal …

Minimal distortion pathways in polyhedral rearrangements

D Casanova, J Cirera, M Llunell… - Journal of the …, 2004 - ACS Publications
A definition of minimum distortion paths between two polyhedra in terms of continuous
shape measures (CShM) is presented. A general analytical expression deduced for such …

Polyhedral structures with an odd number of vertices: nine‐coordinate metal compounds

A Ruiz‐Martínez, D Casanova… - Chemistry–A European …, 2008 - Wiley Online Library
The stereochemistry of nine‐coordinate transition‐metal and rare‐earth compounds has
been studied by means of continuous shape measures (CShM) and related tools. Several …

Continuous symmetry measures: a new tool in quantum chemistry

P Alemany, D Casanova, S Alvarez… - Reviews in …, 2017 - Wiley Online Library
This chapter briefly introduces the geometrical continuous symmetry measures (CSMs) for
the sake of completeness but center the attention in the application of CSMs to quantum …

Evaluation of Point Group Symmetry in Lanthanide (III) Complexes: A New Implementation of a Continuous Symmetry Operation Measure with Autonomous …

VRM Nielsen, B Le Guennic… - The Journal of Physical …, 2024 - ACS Publications
The structure of molecular systems dictates the physical properties, and symmetry is the
determining factor for all electronic properties. This makes group theory a powerful tool in …

Synthesis and hydrogenation of bis (imino) pyridine iron imides

SC Bart, E Lobkovsky, E Bill… - Journal of the American …, 2006 - ACS Publications
Treatment of the iron bis (dinitrogen) complex,(i PrPDI) Fe (N2) 2 (i PrPDI=(2, 6-i Pr2C6H3N
CMe) 2C5H3N), with a series of aryl azides resulted in loss of 3 equiv of N2 and formation of …

How to build molecules with large magnetic anisotropy

J Cirera, E Ruiz, S Alvarez, F Neese… - Chemistry–A European …, 2009 - Wiley Online Library
Predicting single‐molecule magnets? Magnetic anisotropy, a property that plays a key role
in single‐molecule magnets (SMMs), has been analyzed by using theoretical methods …

Shape and Spin State in Four‐Coordinate Transition‐Metal Complexes: The Case of the d6 Configuration

J Cirera, E Ruiz, S Alvarez - Chemistry–A European Journal, 2006 - Wiley Online Library
Generalized polyhedral interconversion coordinates are defined within the framework of
Avnir's continuous shape measures. The application of such interconversion coordinates to …