9 research outputs found
Teaching Climate Change Concepts and the Nature of Science: A Library Activity to Identify Sources of Climate Change Misconceptions
A library activity was developed in which students found information about climate science misconceptions from popular and scientific literatures. As part of the activity, students developed a rubric to evaluate the credibility and type of literature sources they found. The activity prepared students to produce an annotated bibliography of articles, which they then used to create a training document about a climate science misconception for staff at a local science center. Evaluation of annotated bibliographies showed that students were able to distinguish between popular and scholarly literature but struggled to identify primary and secondary sources within the scholarly literature. In the training documents produced four weeks later, students retained information literacy skills and demonstrated aspects of scientific literacy, using language that addressed common barriers to scientific literacy such as the idea of scientific consensus. In self-assessments, students felt that they could identify and evaluate information resources related to climate science
Improving Information Literacy through Wikipedia Editing in the Chemistry Classroom: Lessons Learned
Assignments in which students edit Wikipedia may help students learn about the complexities of information creation and production, while engaging them in researching and writing about topics related to class content. This chapter presents two case studies that illustrate how Wikipedia-based activities can be designed to achieve both chemistry and information literacy learning outcomes. In both examples, faculty partnered with a librarian to implement the Wikipedia editing assignments. Through these experiences, those involved learned about Wikipedia and its community, and identified promising practices for project requirements based on formal and informal assessment and observations. Reflections are offered on the value of using Wikipedia editing assignments and concrete suggestions for creating effective projects are offered
Through-Bond Interactions in the Diradical Intermediates Formed in the Rearrangements of Bicyclo[ n
Using the Socioscientific Context of Climate Change To Teach Chemical Content and the Nature of Science
A thematic course called āClimate
Change: Chemistry and
Controversyā was developed for upper-level non-STEM students.
This course used the socioscientific context of climate change to
teach chemical principles and the nature of science. Students used
principles of agnotology (direct study of misinformation) to debunk
climate change misconceptions commonly encountered in the media and
politics. The culmination of the course was a service-learning project
to create training documents for staff at a local science center that
explained common climate misconceptions. In the process of completing
this project, students gained a greater appreciation for the nature
of science and learned chemical principles of electromagnetic radiation,
atomic structure (isotopes), molecular structure (Lewis structures,
VESPR, and polarity) spectroscopy, and stoichiometry. This paper summarizes
the outcomes of the course, teaching strategies used to reach the
outcomes, and strategies for incorporating agnotology and socioscientific
study in science courses
Nonagostic MĀ·Ā·Ā·HāC Interactions. Synthesis, Characterization, and DFT Study of the Titanium Amide Ti<sub>2</sub>Cl<sub>6</sub>[N(<i>t</i>-Bu)<sub>2</sub>]<sub>2</sub>
The compound Ti<sub>2</sub>Cl<sub>6</sub>[NĀ(<i>t</i>-Bu)<sub>2</sub>]<sub>2</sub> (<b>1</b>) has been synthesized
by treating
TiCl<sub>4</sub> with diĀ(<i>tert</i>-butyl)Āamine, HNĀ(<i>t</i>-Bu)<sub>2</sub>. Compound <b>1</b> crystallizes
in two different polymorphs from pentane, both conforming to the space
group <i>P</i>2<sub>1</sub>/<i>n</i>. In both
polymorphs, <b>1</b> exhibits a close TiĀ·Ā·Ā·C
contact of 2.634(3) Ć
between titanium and a Ī³-methyl group
in one of the two <i>tert</i>-butyl groups of the bound
amido ligand. Interestingly, the Ī³-methyl group adopts a rotational
conformation that maximizes the TiĀ·Ā·Ā·H distances, the
shortest of which are 2.36(2) and 2.62(2) Ć
. Even though the
former distance is within the range characteristic of agostic interactions,
the rotational orientation of the methyl group suggests that the TiĀ·Ā·Ā·H
interactions are repulsive rather than attractive. DFT and NBO analysis
confirms this supposition: there is no evidence of weakening of the
CāH bond closest to the titanium and no evidence of significant
overlap of titanium orbitals with the CāH bonding orbitals
of the Ī³-methyl group involved in the close contact. Further
evidence that the close contact is repulsive was obtained from a DFT
study of a series of related complexes in which the NĀ(<i>t</i>-Bu)<sub>2</sub> ligand is replaced with a NRĀ(<i>t</i>-Bu)
ligand, where the substituent R not involved in the close contact
is Et, Me, or SiMe<sub>3</sub>. All of these latter substituents,
which are sterically smaller than a <i>t</i>-Bu group, enable
the amide group to pivot in such a way as to move the <i>tert</i>-butyl group farther from the metal center. The results suggest that
the short TiĀ·Ā·Ā·C and TiĀ·Ā·Ā·H distances
seen crystallographically for <b>1</b> are actually the result
of intraligand and interligand steric repulsions involving the amide
substituent not involved in the close contact. The lack of an agostic
interaction despite the close contact (and the low electron count
of the Ti center) is ascribed to the strong Ļ- and Ļ-donor
properties of the amide and chloride ligands, which raise the energies
of the empty orbitals on Ti
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Through-Bond Interactions in the Diradical Intermediates Formed in the Rearrangements of Bicyclo[n.m.0]alkatetraenes
Article on through-bond interactions in the diradical intermediates formed in the rearrangements of bicyclo[n.m.0]alkatetraenes
Steric and Electronic Analyses of Ligand Effects on the Stability of ĻāMethane Coordination Complexes: A DFT Study
Developing efficient catalysts for methane functionalization
is
a longstanding goal in inorganic chemistry. Here, we present theoretical
calculations to support efforts to synthesize Ļ-methane complexes
that can be studied by NMR spectroscopy. The systems studied are osmium
complexes of stoichiometry (C5R5)Os(diphosphine)(CH3)(H)+: when both cyclopentadienyl and diphosphine
are relatively strong electron donors, the methyl/hydride structure
is in rapid equilibrium with its Ļ-methane tautomer at low temperatures,
as shown experimentally some years ago. Here, using density functional
theory, we examine how changing the steric and electronic properties
of the ancillary cyclopentadienyl and diphosphine ligands affects
the relative energies of the two tautomers, with the goal of identifying
a ligand set for which the Ļ-methane structure, rather than
the methyl/hydride form, is the predominant species in equilibrium.
We also examine how varying the ancillary ligands affects the barrier
for methane dissociation. The calculations suggest that osmium complexes
bearing weakly donating and sterically undemanding ligands stabilize
the Ļ-methane structure both relative to its methyl/hydride
tautomer and toward dissociation of the methane ligand. More specifically,
osmium Ļ-methane complexes of fluorinated diphosphines (CF3)2PCH2P(CF3)2 and
(CF3)2PCF2P(CF3)2 are predicted to be stable enough to be observed by variable-temperature
NMR spectroscopy
Steric and Electronic Analyses of Ligand Effects on the Stability of ĻāMethane Coordination Complexes: A DFT Study
Developing efficient catalysts for methane functionalization
is
a longstanding goal in inorganic chemistry. Here, we present theoretical
calculations to support efforts to synthesize Ļ-methane complexes
that can be studied by NMR spectroscopy. The systems studied are osmium
complexes of stoichiometry (C5R5)Os(diphosphine)(CH3)(H)+: when both cyclopentadienyl and diphosphine
are relatively strong electron donors, the methyl/hydride structure
is in rapid equilibrium with its Ļ-methane tautomer at low temperatures,
as shown experimentally some years ago. Here, using density functional
theory, we examine how changing the steric and electronic properties
of the ancillary cyclopentadienyl and diphosphine ligands affects
the relative energies of the two tautomers, with the goal of identifying
a ligand set for which the Ļ-methane structure, rather than
the methyl/hydride form, is the predominant species in equilibrium.
We also examine how varying the ancillary ligands affects the barrier
for methane dissociation. The calculations suggest that osmium complexes
bearing weakly donating and sterically undemanding ligands stabilize
the Ļ-methane structure both relative to its methyl/hydride
tautomer and toward dissociation of the methane ligand. More specifically,
osmium Ļ-methane complexes of fluorinated diphosphines (CF3)2PCH2P(CF3)2 and
(CF3)2PCF2P(CF3)2 are predicted to be stable enough to be observed by variable-temperature
NMR spectroscopy
Molecular Orbitals of the Oxocarbons (CO)<sub><i>n</i></sub>, <i>n</i> = 2ā6. Why Does (CO)<sub>4</sub> Have a Triplet Ground State?
Cyclobutane-1,2,3,4-tetrone has been both predicted and
found to
have a triplet ground state, in which a b<sub>2g</sub> Ļ MO
and an a<sub>2u</sub> Ļ MO are each singly occupied. The nearly
identical energies of these two orbitals of (CO)<sub>4</sub> can be
attributed to the fact that both of these MOs are formed from a bonding
combination of CāO Ļ* orbitals in four CO molecules.
The intrinsically stronger bonding between neighboring carbons in
the b<sub>2g</sub> Ļ MO compared to the a<sub>2u</sub> Ļ
MO is balanced by the fact that the non-nearest-neighbor, CāC
interactions in (CO)<sub>4</sub> are antibonding in b<sub>2g</sub>, but bonding in a<sub>2u</sub>. Crossing between an antibonding,
b<sub>1g</sub> combination of carbon lone-pair orbitals in four CO
molecules and the b<sub>2g</sub> and a<sub>2u</sub> bonding combinations
of Ļ* MOs is responsible for the occupation of the b<sub>2g</sub> and a<sub>2u</sub> MOs in (CO)<sub>4</sub>. A similar orbital crossing
occurs on going from two CO molecules to (CO)<sub>2</sub>, and this
crossing is responsible for the triplet ground state that is predicted
for (CO)<sub>2</sub>. However, such an orbital crossing does not occur
on formation of (CO)<sub>2<i>n</i>+1</sub> from 2<i>n</i> + 1 CO molecules, which is why (CO)<sub>3</sub> and (CO)<sub>5</sub> are both calculated to have singlet ground states. Orbital
crossings, involving an antibonding, b<sub>1</sub>, combination of
lone-pair MOs, occur in forming all (CO)<sub>2<i>n</i></sub> molecules from 2<i>n</i> CO molecules. Nevertheless, (CO)<sub>6</sub> is predicted to have a singlet ground state,
in which the b<sub>2u</sub> Ļ MO is doubly occupied and the
a<sub>2u</sub> Ļ MO is left empty. The main reason for the difference
between the ground states of (CO)<sub>4</sub> and (CO)<sub>6</sub> is that interactions between 2p AOs on non-nearest-neighbor carbons,
which stabilize the a<sub>2u</sub> Ļ MO in (CO)<sub>4</sub>,
are much weaker in (CO)<sub>6</sub>, due to the much larger distances
between non-nearest-neighbor carbons in (CO)<sub>6</sub> than in (CO)<sub>4</sub>